data_2ed2_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 2ed2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 70' ' ' ILE . 15.1 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -37.27 -56.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -60.58 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -57.29 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 39.6 t -51.75 -52.14 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -47.57 -51.41 21.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.76 -49.01 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.49 -62.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.52 -53.32 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -42.65 -51.17 5.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -60.33 -69.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -40.19 -57.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 17.6 t80 -46.5 -42.15 15.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -64.0 -51.5 63.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.07 -59.73 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.69 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 mt -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.07 53.52 6.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 159.03 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.71 -44.32 9.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 157.52 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -141.06 171.12 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.74 126.23 36.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 20' ' ' PHE . 89.4 t -73.58 114.05 28.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.95 74.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -46.55 -24.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.14 -56.89 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.37 -39.08 56.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.13 -24.13 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -43.91 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.01 -12.24 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.1 m-70 -148.25 64.68 8.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -75.01 -22.46 14.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.63 -26.47 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -99.34 -58.24 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' HIS . 36.8 mt -99.25 117.28 33.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.1 p90 -158.08 -172.01 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -129.0 155.09 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -128.87 164.0 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.1 29.86 70.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.36 164.07 42.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.0 34.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.24 145.15 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.79 29.56 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.89 112.36 5.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 46' ' ' VAL . 35.0 t80 -116.69 94.76 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -134.79 -178.59 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.8 159.52 25.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -23.27 13.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -70.4 -6.32 34.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -103.89 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -38.51 139.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.43 174.82 22.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -63.29 -48.75 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.99 -32.22 5.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt180 -57.51 -52.79 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.9 mt -44.74 -68.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -42.18 -59.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.0 mtpt -39.98 -49.49 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' GLY . 92.0 mt -62.07 -46.9 95.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' CD1' HD23 ' A' ' 8' ' ' LEU . 4.9 mt -55.6 -40.86 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.72 -39.52 81.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 29.5 m -99.66 9.83 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.59 -6.76 51.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -95.13 -11.35 28.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.5 ptp180 -113.05 -9.34 13.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.6 mt -55.7 154.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -147.36 147.87 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.7 m-85 -124.65 120.81 32.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 73.6 t -102.86 130.41 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -113.04 72.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -39.8 68.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -141.96 93.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.95 11.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.8 -36.56 48.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 HD23 ' CG ' ' A' ' 67' ' ' GLU . 18.0 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -38.12 -60.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -57.38 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 5.9 mtm -48.8 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 25.5 t -46.79 -46.86 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.78 -63.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -51.88 -47.47 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 tp -42.93 -62.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 22.0 m-85 -57.65 -42.74 84.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 51.6 m -52.53 -51.58 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.09 -69.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -41.19 -48.82 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 16.9 t80 -54.62 -47.19 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.63 -46.49 88.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -42.83 -57.93 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -56.66 -39.46 73.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 76.8 mt -70.48 -18.58 62.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 78.31 51.06 5.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -125.42 164.89 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -95.02 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.05 168.06 19.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 153.43 34.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -129.56 164.37 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.17 110.61 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 20' ' ' PHE . 47.3 t -65.17 112.46 8.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.97 71.56 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -43.15 -26.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' GLU . 55.6 mt-30 -67.42 -58.83 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -50.0 -33.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -79.82 -25.54 40.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -81.04 -37.94 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.14 -10.8 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.416 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 46.9 m-70 -149.82 64.22 6.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.02 -21.71 15.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.01 -21.62 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 44.9 m-20 -105.12 -57.66 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -100.08 115.97 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -161.87 -170.73 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 55' ' ' PHE . 7.1 t -126.51 156.71 37.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 164.67 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.32 29.77 71.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.77 164.1 43.64 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.44 38.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.92 139.66 55.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.98 28.92 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -145.41 110.55 4.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 37.4 t80 -119.81 96.59 5.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -136.26 -175.42 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.64 159.87 64.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -22.78 14.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.7 p -69.8 -7.06 36.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -103.39 -56.32 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.419 ' CE1' HD12 ' A' ' 69' ' ' ILE . 5.9 m-85 -39.35 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.96 176.53 21.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -63.82 -48.5 79.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -33.06 4.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 23.7 mtt180 -56.82 -52.96 63.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.15 -70.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.471 ' CG ' HD23 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -39.29 -59.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -40.45 -52.35 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' GLY . 86.4 mt -59.15 -46.9 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.466 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.5 mt -55.52 -40.48 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.56 -31.51 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.48 10.36 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.82 -3.54 55.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -95.98 -10.75 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -19.94 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.9 mt -43.44 154.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.64 145.14 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -120.25 112.82 19.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.481 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.8 t -97.76 125.11 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.37 72.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 5.1 mmpt? -52.1 -46.75 65.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 67.1 mtt-85 -135.55 92.01 17.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.452 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.97 -32.0 5.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -43.58 -49.16 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 7.5 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 70' ' ' ILE . 14.3 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -37.85 -59.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -57.85 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 8.0 mtm -48.92 -60.89 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.516 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 54.4 t -48.39 -48.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.79 -45.63 63.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -69.12 -47.4 65.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.04 -62.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.42 -43.3 83.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.37 -51.46 58.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -60.67 -69.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -41.15 -55.74 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 14.6 t80 -50.04 -42.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.08 -45.02 87.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -46.6 -54.66 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.07 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 85.3 mt -81.53 -12.38 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.74 54.99 31.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.15 159.91 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -90.05 -46.02 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.39 154.52 21.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.68 157.67 31.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -140.6 171.82 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.6 123.46 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.52 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 47.2 t -70.05 113.62 19.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.02 77.38 3.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -50.4 -21.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -67.38 -57.81 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 19.7 mmtm -54.56 -36.3 64.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.93 -22.49 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -44.11 14.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.72 -11.58 59.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 15.6 m-70 -147.21 64.98 9.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -75.01 -18.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.61 -37.17 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -93.22 -57.64 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -96.28 120.51 36.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.7 p90 -167.85 -170.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG23 ' CE1' ' A' ' 55' ' ' PHE . 18.8 t -128.69 153.21 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 165.63 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 30.19 73.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.61 164.19 41.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.98 42.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.03 139.47 41.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.52 29.22 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.69 112.29 4.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -163.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 46' ' ' VAL . 25.4 t80 -121.39 96.0 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 -179.72 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.22 159.44 22.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -23.02 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -68.91 -7.92 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -102.73 -56.89 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.8 m-85 -38.09 138.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.53 -179.88 11.26 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -66.58 -49.05 53.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -31.79 5.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.4 mtt-85 -57.9 -52.59 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.5 mt -45.73 -65.88 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -44.61 -57.27 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 34.7 mtpt -39.61 -51.94 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' GLY . 71.4 mt -60.89 -47.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.2 mt -56.08 -40.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -57.96 -40.74 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.74 19.0 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -79.24 5.24 60.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.98 -15.71 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -108.66 -13.3 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -46.87 155.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 147.12 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.1 m-85 -122.56 119.0 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.453 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 97.7 t -101.91 121.87 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -106.93 74.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 11.6 mttt -64.39 -22.36 66.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -156.63 89.86 2.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.04 -31.54 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.47 -43.18 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 17.7 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 67' ' ' GLU . 14.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 27.3 mtm-85 -36.46 -58.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -61.8 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.462 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 36.3 mtp -47.46 -57.05 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 68.1 t -52.1 -53.23 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.49 -46.69 38.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.77 -46.48 71.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -44.4 -62.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.0 m-85 -57.51 -53.31 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.2 m -43.92 -40.86 4.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -71.02 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -41.04 -33.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.626 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 11.0 t80 -65.55 -52.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -55.9 -42.04 75.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.08 -62.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.7 -35.41 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 93.9 mt -80.2 2.14 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 52.6 60.06 8.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t -128.54 159.57 35.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -91.58 -50.39 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -80.57 166.79 20.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 156.88 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -135.52 169.13 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.27 121.43 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 20' ' ' PHE . 99.4 t -71.51 113.75 22.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.0 72.5 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -42.95 -26.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 8.9 mm100 -68.94 -50.81 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.8 m-85 -75.81 -26.77 57.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -40.15 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.96 -15.44 51.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.55 ' CD2' HD11 ' A' ' 85' ' ' LEU . 52.0 m-70 -145.79 65.41 11.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.62 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.07 14.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.7 -20.67 35.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -101.47 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.35 117.72 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.8 p90 -159.99 -171.25 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.7 t -128.87 153.99 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.4 166.47 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.34 29.82 71.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.89 164.13 40.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.69 42.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.553 1.818 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.52 144.55 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 64.15 28.8 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.51 108.63 4.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.755 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 43.4 t80 -117.95 93.78 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -128.92 -172.52 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.79 157.78 89.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -10.15 21.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -7.85 59.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -103.47 -50.09 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CE1' HD12 ' A' ' 69' ' ' ILE . 5.4 m-85 -44.15 137.37 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.81 -179.98 9.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -48.87 58.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.87 5.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.8 mtt-85 -56.68 -51.47 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.4 mt -46.55 -66.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -43.96 -56.89 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 13.1 mtpt -40.03 -54.72 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.467 HD12 ' CE1' ' A' ' 61' ' ' TYR . 95.8 mt -59.8 -45.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 7.4 mt -56.36 -39.62 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.0 -34.06 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.36 11.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.91 -3.36 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -10.48 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.7 -15.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.4 mt -47.78 154.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -147.47 147.46 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 46' ' ' VAL . 7.1 m-85 -122.15 114.43 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.489 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 87.5 t -97.66 125.03 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.2 mm -107.76 73.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -43.44 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 3.8 mtt180 -135.06 90.03 22.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -48.23 -44.78 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD11 ' CD2' ' A' ' 40' ' ' HIS . 23.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 70' ' ' ILE . 14.7 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -38.2 -59.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.462 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 9.4 mtm -49.51 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.508 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 17.7 t -44.51 -45.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -50.06 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -65.17 -44.46 88.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.77 -64.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 25.1 m-85 -57.23 -42.84 82.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 m -49.4 -52.21 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 108.356 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.2 tttt -61.46 -67.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -40.26 -57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 24' ' ' LEU . 27.6 t80 -48.78 -41.34 32.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.74 -42.97 90.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -48.79 -59.6 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.42 68.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 20' ' ' PHE . 79.7 mt -71.46 -20.66 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.21 52.32 8.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.23 162.24 21.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -91.53 -47.73 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.5 167.7 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.37 149.06 25.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -128.81 168.6 15.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.47 119.28 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG21 ' CB ' ' A' ' 20' ' ' PHE . 91.3 t -66.72 114.18 16.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 69.98 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -46.34 -24.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -52.61 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 29.4 mmtm -55.8 -38.66 70.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.6 m-85 -71.73 -26.32 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.8 -44.02 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.71 -15.08 58.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.9 66.06 12.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.96 13.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.92 -28.27 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 27.7 m-20 -96.74 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.75 119.1 36.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -157.91 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 26.3 t -129.4 153.23 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -127.26 167.48 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.24 29.72 73.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.28 163.85 38.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 151.64 40.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.02 142.26 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 t30 67.97 29.21 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.94 112.69 4.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 39.4 t80 -114.59 94.04 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.55 -175.72 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 160.84 53.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.98 -21.53 15.8 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -70.86 -6.24 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -103.9 -57.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.63 136.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.71 -179.77 9.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -66.21 -48.66 58.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -32.9 4.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.1 mtt180 -56.97 -52.88 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 12' ' ' VAL . 29.5 mt -45.19 -64.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.9 mt-10 -45.92 -58.93 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 8.0 mttp -39.99 -49.68 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.9 mt -62.49 -47.36 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.7 mt -55.19 -40.06 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.14 -39.82 79.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.466 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 27.9 m -100.95 10.36 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.43 -7.51 52.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -95.24 -11.36 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -111.97 -11.65 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.55 154.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.48 147.36 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 6.9 m-85 -122.57 119.84 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 89.3 t -103.68 123.68 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.8 72.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.3 mmpt? -55.31 -42.78 74.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -138.61 91.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.441 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 -27.5 9.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -49.37 -40.12 34.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.418 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 27.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 70' ' ' ILE . 15.3 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.8 mtm-85 -38.01 -60.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -54.61 29.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.477 ' HE1' ' CD1' ' A' ' 70' ' ' ILE . 9.5 mtm -53.23 -61.41 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 22.5 t -48.27 -45.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -45.61 76.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.74 -44.95 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -46.36 -64.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 19.2 m-85 -53.44 -47.0 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -46.22 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -69.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -39.99 -60.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 15.9 t80 -47.5 -43.25 24.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.14 -44.24 97.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -47.91 -55.76 9.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -59.28 -37.63 78.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 90.9 mt -74.34 -13.25 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 62.34 58.47 12.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 153.66 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -81.41 -46.28 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -89.53 163.45 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.96 154.74 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -134.18 168.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.58 118.01 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG21 ' CD2' ' A' ' 20' ' ' PHE . 70.4 t -64.25 112.97 8.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.503 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.94 72.57 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -46.59 -24.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.68 -54.59 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 24.1 mmtm -55.51 -32.64 63.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 5.7 m-85 -78.25 -25.02 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -41.22 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.47 -17.85 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 45.4 m-70 -144.34 64.8 12.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -20.16 17.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.42 -22.98 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 72.7 m-20 -102.42 -53.7 2.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.4 115.96 31.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.8 p90 -159.51 -170.39 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.3 t -126.36 156.39 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.34 164.49 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.44 29.75 71.54 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.1 164.03 40.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.38 140.64 50.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 69.5 29.38 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.66 110.8 4.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.8 t80 -115.88 94.19 4.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -132.12 -174.21 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 158.05 73.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -10.68 21.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 p -81.69 -6.55 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -104.17 -52.01 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE1' HD13 ' A' ' 69' ' ' ILE . 4.7 m-85 -41.42 137.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.11 176.58 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.35 -48.52 75.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -74.96 -30.85 6.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 25.1 mtt180 -58.99 -54.13 50.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.84 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -38.95 -59.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 5.8 mtpm? -39.68 -52.01 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.501 HD13 ' CE1' ' A' ' 61' ' ' TYR . 88.8 mt -59.82 -46.78 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CD1' ' HE1' ' A' ' 11' ' ' MET . 4.2 mt -56.8 -41.89 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -57.04 -40.72 77.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.8 m -104.34 18.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -80.33 6.38 60.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -100.28 -14.71 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -110.63 -15.63 13.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.4 mt -43.64 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -147.75 148.65 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 7.0 m-85 -123.96 115.94 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.508 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 94.3 t -99.71 125.78 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.8 mm -107.85 72.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 5.4 mmpt? -52.91 -46.51 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.415 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 27.5 mtt85 -135.46 91.6 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -28.99 8.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -46.6 -46.4 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.421 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 8.2 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.082 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 70' ' ' ILE . 17.0 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -38.12 -55.79 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -60.55 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.485 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 9.8 mtm -47.35 -58.39 4.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 37.9 t -49.56 -51.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -55.37 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.39 -43.7 96.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.75 -65.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.9 m-85 -54.43 -43.6 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -52.6 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -41.5 -58.06 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 32' ' ' VAL . 15.4 t80 -48.01 -42.32 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.53 -42.39 99.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.17 -51.16 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -25.8 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 96.0 mt -87.13 -9.93 54.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 60.24 55.12 31.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.54 154.92 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.4 p -82.34 -48.67 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.57 166.9 14.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.07 158.48 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.16 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.28 133.39 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 20' ' ' PHE . 72.2 t -79.56 114.4 45.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.23 2.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 27.3 m-85 -47.6 -23.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -67.71 -61.07 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -47.41 -37.76 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.672 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.2 m-85 -74.22 -31.42 62.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -75.74 -40.54 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.42 -16.39 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.573 ' CD2' HD11 ' A' ' 85' ' ' LEU . 60.3 m-70 -145.31 64.01 10.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -16.69 20.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -40.03 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -91.51 -55.43 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.5 118.27 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.475 ' CE1' HG11 ' A' ' 79' ' ' VAL . 9.5 p90 -167.09 -175.5 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 55' ' ' PHE . 8.3 t -124.16 154.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -127.61 168.32 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.71 74.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -84.91 164.16 43.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.0 42.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.53 139.14 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 69.47 28.83 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.39 109.54 4.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.88 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.9 t80 -112.14 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -125.4 -174.02 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.593 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -72.66 162.45 74.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -24.62 12.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -70.69 -6.13 34.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -104.06 -57.59 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.46 ' CE1' HD12 ' A' ' 69' ' ' ILE . 7.9 m-85 -38.76 138.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.54 179.16 12.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -65.16 -48.49 69.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -34.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.8 mtt180 -55.26 -51.93 65.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 mt -46.11 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -39.51 -59.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 3.6 mttp -39.65 -52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' GLY . 66.1 mt -59.66 -48.01 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 3.5 mt -55.07 -41.66 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.71 -38.78 75.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.52 12.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -72.74 -2.52 56.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -98.22 -10.82 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -112.26 -13.71 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 mt -50.18 155.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.57 147.44 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.492 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.6 m-85 -121.92 116.66 24.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG11 ' CE1' ' A' ' 45' ' ' TYR . 97.0 t -100.45 118.98 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -104.6 73.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 15.0 mttt -62.11 -33.44 74.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 68.2 mtt180 -142.96 89.27 7.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.433 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -36.64 2.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.18 -41.56 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 40' ' ' HIS . 38.7 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 70' ' ' ILE . 17.4 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' LEU . 41.1 mtm180 -37.3 -53.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.505 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 38.9 mtp -42.69 -57.85 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 48.8 t -50.84 -54.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -46.22 -52.09 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -62.68 -47.43 83.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tp -42.43 -62.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.9 m-85 -58.62 -42.18 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.2 m -50.77 -53.03 35.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -61.12 -68.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -40.4 -57.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' A' ' 32' ' ' VAL . 14.2 t80 -48.53 -42.82 34.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -63.83 -48.67 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -41.38 -58.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -55.98 -34.89 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 84.1 mt -74.77 -20.48 59.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.1 49.49 21.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.76 163.54 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -92.08 -49.04 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.93 167.88 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.59 152.06 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -132.29 166.67 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.4 119.43 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 20' ' ' PHE . 78.1 t -65.66 114.26 15.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.98 70.44 5.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -40.75 -28.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -65.08 -55.25 19.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -49.86 -37.57 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.2 m-85 -75.76 -22.47 56.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -80.15 -44.7 19.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -7.24 59.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -153.0 64.82 5.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 -21.08 16.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.87 -31.36 31.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 8.4 m-20 -90.48 -59.39 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.01 115.86 29.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -154.43 -171.17 3.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 55' ' ' PHE . 7.5 t -130.15 155.38 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.91 164.6 21.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.41 30.39 71.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -85.94 163.95 41.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.93 43.05 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.55 138.96 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t30 69.88 29.41 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -145.24 112.76 4.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 30.7 t80 -119.15 96.22 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -139.1 171.24 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 160.17 0.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.02 -27.56 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -13.11 27.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.9 m95 -96.42 -58.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 108.025 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.9 m-85 -37.45 137.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.58 -179.86 11.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -66.24 -48.47 58.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 18.7 mtt180 -57.34 -53.05 62.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 12' ' ' VAL . 30.7 mt -43.89 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -41.11 -57.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.2 mtpt -39.83 -55.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 96.4 mt -60.05 -41.7 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 11.7 mt -60.6 -38.16 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -63.03 -28.09 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 HG12 ' CZ ' ' A' ' 75' ' ' ARG . 34.3 m -112.56 11.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.71 -4.02 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.49 -11.67 27.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 4.9 ptp180 -112.75 -13.86 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 mt -52.18 155.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -147.38 149.12 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -123.57 118.75 28.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 88.1 t -102.81 125.77 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.8 mm -106.25 73.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.5 mmpt? -54.05 -46.04 71.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 30.4 mtt180 -134.79 90.88 21.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.08 -32.43 5.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -43.43 -46.79 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 12.4 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 67' ' ' GLU . 13.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -38.03 -58.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -60.43 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.429 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -46.53 -63.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 31.1 t -46.25 -47.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -53.66 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -44.89 96.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.1 -62.89 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 27.8 m-85 -59.36 -53.04 62.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.7 m -42.87 -33.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -79.97 -69.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -41.95 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 11.5 t80 -67.62 -56.79 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.7 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.32 -59.86 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.0 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 96.8 mt -82.7 3.38 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.36 57.85 7.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 164.88 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -90.87 -49.46 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.21 167.87 12.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.65 162.94 23.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -141.3 169.12 18.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.68 122.05 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.94 113.22 13.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 75.01 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -45.8 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.73 -59.8 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -49.46 -36.81 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.3 m-85 -75.86 -25.82 56.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -80.41 -40.84 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.6 -13.97 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -146.19 65.8 10.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.29 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.26 -30.89 30.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 39.9 m-20 -89.54 -61.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 121.36 41.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.4 p90 -160.78 -173.08 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 55' ' ' PHE . 24.3 t -125.87 153.31 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 167.03 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.9 29.77 75.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.01 163.98 43.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.64 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.11 140.23 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' HG12 ' A' ' 53' ' ' ILE . 1.8 t-20 69.96 28.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.3 mt -146.09 110.49 4.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.4 t80 -118.41 95.12 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.01 175.97 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.21 159.3 11.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -22.04 15.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -6.91 36.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -104.03 -55.19 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 5.2 m-85 -40.14 138.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.3 -179.81 10.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.555 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.54 -49.25 52.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.41 5.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 9.0 mtt180 -57.16 -52.53 64.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 12' ' ' VAL . 28.7 mt -45.45 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HD22 ' A' ' 8' ' ' LEU . 1.4 mt-10 -47.1 -55.8 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.2 mtpp -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 73' ' ' GLY . 90.6 mt -62.45 -45.14 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.443 ' CD1' HD21 ' A' ' 8' ' ' LEU . 8.4 mt -56.91 -39.25 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -60.25 -37.27 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.9 m -106.65 16.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.24 3.78 61.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -100.01 -12.2 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -114.92 -8.11 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.31 155.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -147.77 149.76 32.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' A' ' 46' ' ' VAL . 7.9 m-85 -124.81 114.64 19.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 92.1 t -94.8 126.89 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.5 mm -108.95 72.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 6.3 mmpt? -56.44 -43.18 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -134.65 90.06 24.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.05 -34.42 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.26 -44.24 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 70' ' ' ILE . 17.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.4 mtm180 -37.36 -56.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -55.53 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.407 ' HE1' ' CD1' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -51.04 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 20.7 t -50.05 -47.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -53.05 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -45.21 -62.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.1 m-85 -56.33 -45.97 80.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -49.46 -58.93 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -52.03 -70.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -40.52 -57.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 13.1 t80 -46.57 -42.03 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.2 -49.63 75.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -42.26 -57.08 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.61 86.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 78.4 mt -69.99 -10.6 59.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.53 56.3 23.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.47 162.95 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -94.73 -42.31 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.43 162.65 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.67 137.39 32.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -119.62 169.75 9.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 121.31 31.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 20' ' ' PHE . 58.5 t -67.13 113.8 15.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.07 75.32 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.533 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 35.5 m-85 -47.03 -23.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.0 -55.26 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -52.39 -34.7 49.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.1 m-85 -80.13 -23.82 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -37.49 31.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.07 -15.78 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -143.75 64.67 13.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 -23.45 13.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -77.91 -24.42 48.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -100.36 -57.53 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 mt -100.63 116.06 31.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -154.76 -173.84 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.577 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 55.6 t -130.94 138.23 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 46' ' ' VAL . 1.2 mm-40 -110.64 168.69 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.28 29.69 73.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.39 164.0 37.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.43 42.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.85 139.96 41.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 70.03 29.15 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.95 112.7 4.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.35 2.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 46.2 t80 -109.7 90.92 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -130.75 -175.12 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.533 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.08 162.33 47.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -22.5 14.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -6.56 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.12 -52.8 2.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 5.4 m-85 -43.11 138.24 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.85 -179.79 11.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -49.19 56.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -32.16 5.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 32.0 mtt180 -57.53 -50.32 73.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -47.15 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.96 -58.01 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.6 mttt -39.79 -51.15 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 90.0 mt -61.44 -46.59 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CD1' HD21 ' A' ' 8' ' ' LEU . 5.2 mt -56.36 -40.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.05 -35.6 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 m -107.67 13.37 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.38 -6.01 52.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -94.57 -16.08 23.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -107.09 -9.52 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.81 154.5 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -147.49 148.69 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 10.0 m-85 -125.12 119.06 27.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 91.1 t -103.04 127.96 56.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.9 mm -110.32 72.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.86 -40.16 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -138.33 89.45 14.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 -29.58 8.0 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -49.26 -42.64 41.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 70' ' ' ILE . 13.4 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -38.7 -60.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -51.71 -58.41 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.48 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 9.8 mtm -49.47 -60.25 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 25.3 t -49.91 -49.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.51 -45.25 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.55 -44.99 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.7 -63.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -55.01 -43.09 73.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.82 -61.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -41.28 -59.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' HG23 ' A' ' 32' ' ' VAL . 12.7 t80 -46.1 -41.71 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.86 -45.23 94.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.07 -58.93 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.28 -28.82 63.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 86.8 mt -80.82 -18.76 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 68.65 47.78 54.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.96 159.75 19.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -87.43 -46.82 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.69 167.35 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.88 156.81 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -140.66 167.1 22.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.35 137.6 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG23 ' CD2' ' A' ' 20' ' ' PHE . 99.7 t -85.09 114.07 53.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 72.55 4.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -46.81 -23.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -51.96 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.6 m-85 -78.79 -22.27 46.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.56 -42.54 18.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.11 -13.24 56.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 39.4 m-70 -145.24 64.32 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 -17.02 19.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.4 -32.69 32.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.07 -59.11 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.19 118.89 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -160.51 -168.36 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 55' ' ' PHE . 24.1 t -131.78 155.77 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -128.68 164.25 23.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.11 29.77 72.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.26 163.97 45.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.05 42.21 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.56 138.85 47.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 69.97 28.61 4.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mt -145.69 109.4 4.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.87 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 46' ' ' VAL . 32.0 t80 -116.23 92.13 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -130.11 179.51 5.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.64 161.71 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.99 -29.23 8.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 p -66.4 -10.27 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -98.3 -52.23 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 107.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.537 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.7 m-85 -44.8 139.96 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.67 -179.78 11.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.75 -49.27 50.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.35 5.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -57.17 -51.26 70.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD2' HG23 ' A' ' 12' ' ' VAL . 34.4 mt -46.6 -67.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -41.67 -59.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.5 mtpt -40.48 -52.86 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.537 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 80.8 mt -58.68 -47.19 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 3.4 mt -56.37 -40.94 69.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.07 -32.88 70.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 75' ' ' ARG . 35.1 m -107.31 11.22 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.28 -6.34 61.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -9.13 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.467 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 4.0 ptp180 -114.75 -13.75 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.5 mt -50.84 155.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -147.57 142.94 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 7.8 m-85 -119.2 118.87 32.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 79.7 t -102.85 129.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.3 mm -111.66 75.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -33.86 73.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -145.32 91.43 5.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -31.17 6.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -46.88 -43.98 19.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD22 ' CG ' ' A' ' 67' ' ' GLU . 15.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.5 mtt180 -36.82 -60.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -50.53 -56.86 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.493 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 9.9 mtm -51.75 -67.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 24.4 t -41.84 -42.43 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -50.09 74.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' MET . 13.2 mm-40 -65.15 -44.86 87.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -44.32 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.4 m-85 -56.89 -43.73 81.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.68 -49.54 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -62.71 -67.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -42.48 -57.14 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 19.4 t80 -47.22 -40.23 15.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -67.08 -46.66 73.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -44.48 -58.33 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.5 -39.15 75.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 85.4 mt -70.96 -15.72 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.77 52.19 40.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.15 160.11 25.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -88.59 -45.7 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.66 167.42 16.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.51 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -138.43 169.6 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.22 122.15 32.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 20' ' ' PHE . 59.1 t -69.0 113.56 17.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.95 4.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -43.19 -29.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -60.65 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -51.12 -44.38 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.0 m-85 -66.45 -24.27 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -41.37 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.98 -10.85 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.7 m-70 -144.18 64.1 12.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 -21.3 16.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -81.67 -28.6 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -97.55 -62.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.1 115.83 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 4.2 p90 -156.84 -171.58 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 ' CE1' ' A' ' 55' ' ' PHE . 53.2 t -129.09 151.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 46' ' ' VAL . 52.0 mm-40 -123.97 162.26 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.42 29.72 71.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.29 164.15 47.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.51 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.6 138.85 57.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.53 29.25 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.85 111.13 4.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.6 t80 -115.28 92.9 4.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 178.18 6.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.59 160.12 20.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.01 -21.16 16.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -71.54 -6.35 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 63.9 m95 -104.32 -57.56 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.474 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.5 m-85 -37.83 134.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -63.83 179.8 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.49 -48.93 65.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.67 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mtt-85 -56.3 -51.72 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 12' ' ' VAL . 29.1 mt -47.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' CG ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.6 mtpt -39.39 -54.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 HD11 ' CE1' ' A' ' 61' ' ' TYR . 82.2 mt -59.56 -46.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.493 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 4.4 mt -55.44 -40.82 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.57 -39.66 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 32.7 m -99.14 8.54 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -67.21 -8.22 49.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -93.81 -12.52 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 6.0 ptm180 -112.53 -8.36 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.25 154.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.43 141.29 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 10.4 m-85 -119.5 118.71 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 71.3 t -101.61 132.23 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.7 mm -113.32 74.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.6 86.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -136.27 90.47 17.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.01 -35.26 3.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.0 -36.58 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 70' ' ' ILE . 15.0 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 74.9 mtm180 -36.97 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -57.23 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 8.4 mtm -49.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 38.2 t -48.22 -48.84 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.11 -40.97 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -74.73 -43.4 55.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.05 -62.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 26.7 m-85 -57.42 -50.57 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.0 m -44.24 -37.24 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -76.24 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.7 mmtt -43.5 -27.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 8.9 t80 -71.42 -56.34 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -53.94 -40.75 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.07 -62.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.12 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 87.4 mt -84.23 5.48 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 49.7 58.87 7.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -129.33 142.86 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -78.46 -50.43 11.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.57 158.84 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.57 157.67 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -142.17 169.28 17.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.56 34.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -79.39 114.32 44.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 76.16 3.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -46.61 -23.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.32 -60.07 3.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -49.31 -38.86 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.1 m-85 -74.43 -24.87 59.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -39.57 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.4 57.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -149.78 65.62 7.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.622 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.93 -31.15 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.4 m-20 -92.3 -60.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.85 122.82 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.9 p90 -162.05 -175.36 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 55' ' ' PHE . 40.3 t -127.87 145.16 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 46' ' ' VAL . 2.1 mm-40 -119.29 171.01 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.53 29.73 71.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -87.61 164.04 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.54 42.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.53 138.6 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 70.08 28.99 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.25 110.12 4.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 45.5 t80 -119.6 96.23 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.01 170.66 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.86 158.15 1.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -25.53 11.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -67.59 -9.26 41.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.83 -55.86 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 108.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.448 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.2 m-85 -39.24 139.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.07 -179.9 12.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.52 -48.98 54.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt85 -57.13 -49.37 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 12' ' ' VAL . 32.6 mt -47.82 -69.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -42.37 -58.14 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' GLU . 33.5 mtpt -39.18 -50.04 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' GLY . 79.9 mt -62.45 -46.32 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.471 ' CD1' HD22 ' A' ' 8' ' ' LEU . 5.0 mt -56.6 -39.64 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -60.65 -31.46 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 m -111.09 14.61 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -76.74 2.14 60.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.31 -9.89 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -115.01 -15.46 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -46.59 156.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -147.64 148.58 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.1 m-85 -122.96 111.92 17.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 91.1 t -94.96 125.07 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.1 mm -108.13 72.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.9 mmpt? -54.38 -45.17 72.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -136.25 91.98 16.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.445 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.95 -30.48 7.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -43.83 -46.95 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 70' ' ' ILE . 13.1 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -37.95 -61.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -59.18 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.466 ' HE1' ' CD1' ' A' ' 70' ' ' ILE . 15.0 mtm -48.51 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.0 t -43.84 -47.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -51.16 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -64.14 -43.6 94.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.1 -62.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.1 m-85 -58.67 -41.18 85.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -53.19 -52.38 59.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -61.03 -69.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -40.83 -55.26 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.3 t80 -49.81 -45.48 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.89 -49.65 75.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -40.34 -58.06 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.04 -37.54 71.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 81.0 mt -72.88 -17.5 61.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.24 52.58 21.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.75 164.38 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -91.56 -49.74 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.54 167.57 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.31 154.94 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -135.34 169.27 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.55 124.13 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG21 ' CD2' ' A' ' 20' ' ' PHE . 55.4 t -72.13 114.3 28.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.98 80.37 2.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -49.87 -21.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.17 -50.71 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -56.94 -28.13 61.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.0 m-85 -86.36 -25.94 25.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -35.39 38.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.77 45.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -151.93 65.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.36 15.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.74 -22.62 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 30.6 m-20 -99.42 -59.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.93 118.12 36.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.1 p90 -158.07 -174.87 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 55' ' ' PHE . 54.1 t -129.17 139.61 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' HG12 ' A' ' 46' ' ' VAL . 20.2 mm-40 -113.01 169.52 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.58 29.56 72.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.15 163.87 35.5 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.542 0.79 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.78 41.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.85 139.92 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.16 29.1 3.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.82 110.58 4.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.99 2.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 21.5 t80 -108.52 90.22 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.75 174.56 9.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 162.46 5.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -22.26 14.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -7.36 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -103.73 -53.53 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CE1' HD13 ' A' ' 69' ' ' ILE . 6.0 m-85 -42.87 135.7 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.28 -179.73 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.0 -48.7 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -33.0 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.2 mtt180 -56.96 -53.71 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' CG2' ' A' ' 12' ' ' VAL . 28.3 mt -43.89 -64.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.3 mt-10 -47.11 -58.28 4.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mtpm? -39.74 -49.69 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 61' ' ' TYR . 81.5 mt -63.66 -46.73 93.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.466 ' CD1' ' HE1' ' A' ' 11' ' ' MET . 4.1 mt -55.63 -39.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.63 -40.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.41 15.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -74.61 -0.22 58.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.5 -14.27 20.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.39 -8.53 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mt -55.47 155.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -147.64 150.56 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.518 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.8 m-85 -126.31 111.03 14.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 88.0 t -95.3 124.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.54 71.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.8 mmpt? -53.21 -44.21 67.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mtt180 -136.74 91.84 15.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.433 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 -31.13 6.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -48.36 -40.84 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 52.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 70' ' ' ILE . 13.7 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -42.47 -46.79 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -59.3 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.429 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -47.81 -59.0 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 16.5 t -48.78 -40.79 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -67.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -47.02 -43.21 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -46.45 -64.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.0 m-85 -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.12 -49.09 69.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -63.98 -66.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -43.11 -48.35 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 28.3 t80 -56.39 -43.1 78.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.29 -42.02 93.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.91 -57.98 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.52 -40.85 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 83.2 mt -69.9 -15.82 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.78 58.29 4.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -130.85 157.05 43.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -88.09 -54.57 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 167.48 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.66 154.5 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -134.41 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.17 123.3 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.512 HG23 ' CG ' ' A' ' 20' ' ' PHE . 80.7 t -77.42 115.09 46.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 73.77 4.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -47.04 -25.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.0 -51.53 31.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.95 -30.1 45.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.2 m-85 -81.45 -26.68 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -40.54 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.62 -13.29 56.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 75.2 m-70 -151.84 64.23 5.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 -27.02 10.43 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -73.22 -19.45 61.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -104.86 -55.84 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.94 115.91 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.0 p90 -154.96 -170.57 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 55' ' ' PHE . 80.9 t -133.16 140.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' HG11 ' A' ' 46' ' ' VAL . 1.2 mm-40 -112.36 167.49 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 29.77 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.94 164.17 45.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.04 30.92 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.09 140.43 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.71 28.93 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.59 110.8 4.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.6 t80 -117.31 92.2 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -127.04 -171.21 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.85 160.92 80.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -19.24 18.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.9 m -75.22 -7.35 53.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.32 -52.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 5.4 m-85 -41.75 136.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.38 -179.75 6.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -65.99 -49.37 57.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 8.3 mtt180 -56.71 -50.8 71.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.5 mt -47.17 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.87 -57.0 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.1 mttp -39.24 -54.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 84.9 mt -58.42 -46.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.451 ' CD1' HD21 ' A' ' 8' ' ' LEU . 9.8 mt -56.66 -41.46 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.06 -36.88 71.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 m -107.2 15.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.09 0.13 59.51 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.97 -14.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 3.7 ptm85 -111.91 -9.37 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.3 mt -50.56 155.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.46 147.59 30.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.0 m-85 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.516 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 91.8 t -97.15 128.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.9 mm -109.59 72.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -45.19 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -136.11 91.44 17.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.446 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.98 -21.13 16.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.09 -39.96 72.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 HD23 ' CG ' ' A' ' 67' ' ' GLU . 14.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 65.3 mtm180 -36.99 -62.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -53.9 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.467 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -50.02 -58.42 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.954 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.495 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 23.7 t -55.15 -42.46 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.07 -41.76 79.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -73.35 -47.41 42.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.07 -62.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.2 m-85 -57.48 -48.38 79.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.1 m -47.12 -39.76 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 108.288 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -72.58 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -44.28 -33.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 10.5 t80 -66.42 -55.16 17.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.68 72.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.77 -63.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.32 -33.27 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 82.5 mt -84.63 7.55 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 60.1 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -126.0 152.85 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 m -85.46 -52.01 6.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 166.6 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.94 155.77 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.41 170.18 16.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.26 136.39 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -84.44 114.1 52.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.02 74.39 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -45.43 -24.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -52.89 37.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 85' ' ' LEU . 60.7 mmtt -55.17 -36.17 65.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.6 m-85 -77.76 -24.93 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -39.46 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.66 -9.81 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 68.1 m-70 -152.28 64.8 5.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.01 -20.4 16.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.7 -29.56 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 28.6 m-20 -94.62 -60.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.83 118.26 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -157.83 -173.82 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.568 HG21 ' CZ ' ' A' ' 78' ' ' PHE . 75.4 t -130.37 139.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 2.8 mm-40 -111.91 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.2 29.66 73.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.45 164.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.48 36.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.17 141.92 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 29.27 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -144.96 110.61 4.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.597 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 44.7 t80 -120.13 94.76 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -132.5 -176.65 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 157.94 58.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.95 -21.6 15.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.7 p -72.19 -7.2 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -103.47 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.1 m-85 -40.29 140.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.39 176.72 22.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.62 -48.8 73.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.2 mtt180 -58.74 -52.11 67.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.8 mt -45.49 -69.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -42.41 -56.91 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.7 mttp -39.08 -55.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 73' ' ' GLY . 83.6 mt -57.55 -45.39 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 9.4 mt -57.75 -41.48 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -60.47 -26.88 67.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.88 16.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.93 4.92 59.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -100.1 -13.29 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -112.62 -13.83 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -46.29 155.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -147.62 143.41 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.8 m-85 -120.41 112.57 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 87.4 t -95.05 126.17 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' A' ' 24' ' ' LEU . 2.4 mm -107.83 71.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 6.2 mmpt? -52.21 -45.11 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 18.9 mtt180 -140.62 94.74 8.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 -27.21 10.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -46.58 -48.02 19.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 7.3 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 70' ' ' ILE . 12.5 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -37.6 -62.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -55.74 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.468 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 9.6 mtm -52.17 -62.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 25.0 t -48.27 -44.96 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.46 -42.17 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -73.65 -45.8 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -42.29 -63.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 25.8 m-85 -56.38 -47.68 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 34.7 m -46.86 -57.97 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 tptt -53.08 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 41.3 mmtt -39.86 -55.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 24' ' ' LEU . 15.2 t80 -47.73 -50.17 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.69 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -45.57 -59.97 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.07 -29.63 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 20' ' ' PHE . 98.7 mt -85.2 5.3 30.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.3 56.45 7.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.87 164.22 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.62 -49.17 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -90.82 167.92 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.79 159.47 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 18.8 mtpt -141.4 169.03 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.43 140.73 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG22 ' CG ' ' A' ' 20' ' ' PHE . 90.1 t -88.91 113.63 56.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -41.66 -27.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -65.94 -56.14 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -49.58 -38.14 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.26 -29.71 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.42 -37.06 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.51 -12.81 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 88.8 m-70 -149.76 64.34 6.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.536 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -21.94 15.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -79.07 -28.62 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 68.8 m-20 -97.06 -56.75 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -99.78 119.72 38.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -162.91 -174.43 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 55' ' ' PHE . 10.2 t -126.13 154.38 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.66 168.41 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 29.87 75.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.08 163.97 40.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.61 41.22 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.22 142.7 50.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 66.84 29.13 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.12 110.19 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.2 t80 -118.17 95.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -133.53 -175.71 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 160.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 -24.3 12.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -68.08 -8.6 39.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 23.3 m95 -101.7 -58.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CE1' HD12 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.64 137.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.31 -179.9 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.05 -49.04 58.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.3 mtt180 -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 12' ' ' VAL . 26.1 mt -46.6 -63.13 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 70' ' ' ILE . 1.4 mt-10 -48.03 -57.53 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mttt -39.71 -48.68 2.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.489 HD12 ' CE1' ' A' ' 61' ' ' TYR . 79.7 mt -64.45 -46.54 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.4 mt -55.91 -39.17 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.76 -37.05 80.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 m -104.54 14.07 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.08 -0.23 60.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -98.65 -9.67 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -115.42 -13.21 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.4 155.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.77 147.13 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 7.8 m-85 -123.87 115.07 20.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 94.4 t -97.09 126.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -108.35 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -52.72 -45.83 67.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 30.6 mtt180 -136.38 92.49 15.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.455 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.5 Cg_endo -75.01 -32.93 4.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -42.94 -45.56 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 11.9 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 67' ' ' GLU . 13.9 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -37.56 -56.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -58.85 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 2.7 mtm -46.99 -58.63 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.3 t -53.71 -35.31 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.82 -54.66 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -41.67 -62.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 23.7 m-85 -58.35 -51.52 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -43.72 -41.28 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -71.33 -64.05 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -43.7 -39.47 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.589 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 7.5 t80 -59.33 -54.31 48.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -54.68 -42.71 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -48.26 -63.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.15 67.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 90.5 mt -84.17 6.63 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 50.1 59.77 7.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -130.98 154.86 47.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -88.68 -53.36 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.17 167.94 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.14 157.37 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -141.55 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 136.13 33.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -84.12 114.18 52.79 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 71.54 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -42.93 -26.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -48.71 -38.72 22.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.77 -32.28 65.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -37.64 59.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.53 -11.95 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -146.37 65.28 10.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.17 18.14 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -83.26 -37.37 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -86.79 -61.86 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.38 118.67 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.7 p90 -159.6 -169.68 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 55' ' ' PHE . 25.8 t -129.35 155.22 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.43 164.97 20.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.97 29.82 75.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.34 164.25 46.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 145.65 31.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.87 144.5 57.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.73 29.39 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.57 110.8 4.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.662 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.2 t80 -121.27 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 -175.12 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 156.7 76.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.03 -11.24 21.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 p -81.08 -8.19 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -103.54 -53.11 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.3 m-85 -39.35 139.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.42 176.36 19.06 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -64.29 -49.53 72.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -31.14 6.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 17.0 mtt-85 -58.61 -51.28 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 12' ' ' VAL . 31.5 mt -47.54 -68.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.98 -56.62 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' GLU . 12.2 mtpt -40.26 -56.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 97.6 mt -55.07 -44.66 75.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 9.7 mt -58.4 -41.31 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -61.29 -26.77 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 29.7 m -111.76 10.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.92 -5.35 52.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.28 -10.13 33.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -115.06 -12.19 11.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.4 mt -50.62 152.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.63 143.38 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CE1' HG22 ' A' ' 46' ' ' VAL . 7.2 m-85 -119.88 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 70.9 t -100.62 127.32 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.8 mm -109.86 74.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -40.57 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' CB ' HD12 ' A' ' 85' ' ' LEU . 38.7 mtt180 -138.14 90.31 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.411 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.45 -51.26 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 70' ' ' ILE . 18.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -38.69 -61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -58.06 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.455 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 5.1 mtm -47.72 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 24.5 t -45.05 -43.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -69.48 -45.3 69.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -44.62 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' PHE . 24.1 m-85 -58.02 -52.65 64.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 52.4 m -44.02 -35.49 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -77.05 -70.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -42.31 -28.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 11.8 t80 -70.98 -51.4 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.62 78.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -49.6 -63.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.45 -31.92 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 94.7 mt -84.52 7.28 20.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.52 58.91 6.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -129.22 152.27 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.73 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -85.23 -53.41 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.68 166.4 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.26 158.82 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 41.5 mtmt -141.91 170.74 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.63 131.63 36.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.42 114.41 47.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.93 76.16 3.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.83 -24.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.45 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -51.8 -36.96 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.4 m-85 -77.01 -25.97 53.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -37.49 39.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.59 42.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.49 ' CD2' HD12 ' A' ' 85' ' ' LEU . 58.9 m-70 -147.27 64.61 8.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.96 -21.73 15.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -24.42 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.63 -60.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.07 118.08 36.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.6 p90 -159.45 -167.37 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 78' ' ' PHE . 11.7 t -131.0 154.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -125.98 164.45 20.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 29.5 71.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.77 164.02 44.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.96 140.11 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 53' ' ' ILE . 27.7 m-80 70.23 28.49 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 52' ' ' ASN . 3.9 mt -146.24 110.01 4.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 40.1 t80 -117.86 94.73 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.7 175.51 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.54 161.86 3.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -30.29 7.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -59.88 -15.35 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 72.7 m95 -94.18 -60.13 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.495 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 6.6 m-85 -37.59 137.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.21 -179.88 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.75 -48.5 63.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 26.8 mtt180 -55.9 -53.11 60.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.435 HD21 ' CG2' ' A' ' 12' ' ' VAL . 27.5 mt -44.63 -65.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.1 mt-10 -44.44 -57.91 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -40.98 -49.08 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.495 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 94.2 mt -63.45 -45.7 97.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.455 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 5.0 mt -56.93 -40.32 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.16 -36.85 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 m -103.77 10.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -73.17 -2.33 58.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.3 -11.54 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -114.2 -17.54 11.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mt -44.29 154.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -147.29 145.15 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 46' ' ' VAL . 9.1 m-85 -119.86 114.31 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.4 t -96.16 128.15 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -109.36 73.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -42.74 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -135.15 90.36 21.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.422 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -27.87 9.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.55 -44.17 17.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 40' ' ' HIS . 33.5 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 70' ' ' ILE . 13.3 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -37.34 -61.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -58.18 7.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.469 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 4.8 mtm -47.36 -62.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 19.5 t -48.97 -50.48 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.91 -45.81 51.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -69.66 -46.67 65.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.25 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -54.95 -49.66 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.9 m -47.77 -60.07 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -49.54 -70.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -41.16 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 24' ' ' LEU . 16.3 t80 -46.85 -42.49 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.14 -43.78 98.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.67 -54.7 25.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.7 67.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 20' ' ' PHE . 91.5 mt -85.14 -14.03 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.34 55.22 22.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.06 156.98 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m -86.02 -46.38 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.71 168.1 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.32 146.85 26.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -130.39 166.39 20.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.66 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG21 ' CG ' ' A' ' 20' ' ' PHE . 83.9 t -83.55 114.29 52.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.97 3.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -44.74 -25.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.66 -57.45 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -49.85 -37.58 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -74.49 -28.21 60.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.36 44.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.95 -11.66 52.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.552 ' CD2' HD13 ' A' ' 85' ' ' LEU . 79.9 m-70 -149.14 64.14 7.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.98 -16.86 20.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -80.73 -38.84 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.468 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 43.4 m-20 -92.26 -55.04 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' HIS . 90.2 mt -97.46 117.47 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 79' ' ' VAL . 9.2 p90 -166.08 -172.43 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 55' ' ' PHE . 18.6 t -127.69 153.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -127.5 170.17 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.54 29.68 75.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.98 164.19 42.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.99 139.92 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 69.35 29.01 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -145.18 110.41 4.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -167.75 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.7 t80 -114.01 92.56 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.71 174.77 9.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.76 165.07 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.96 -27.27 10.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -61.97 -25.83 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.1 m95 -83.3 -60.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 7.0 m-85 -37.59 134.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.71 -179.36 6.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.25 -48.46 68.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.06 -34.74 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 11.1 mtt-85 -55.22 -50.19 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 12' ' ' VAL . 27.0 mt -46.71 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ILE . 1.0 OUTLIER -46.05 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 6.4 mtpt -39.69 -52.77 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.533 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 90.6 mt -59.91 -46.08 94.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 5.4 mt -55.75 -38.41 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.06 -34.89 75.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 35.4 m -104.63 9.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.36 -6.81 49.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -96.02 -11.1 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 6.6 ptp180 -111.6 -18.34 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mt -46.65 155.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.4 147.49 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.489 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 3.8 m-85 -121.88 118.82 29.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.466 HG11 ' CE1' ' A' ' 45' ' ' TYR . 96.8 t -103.64 115.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 mm -101.48 73.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 15.7 mttt -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 18.0 mtt180 -139.2 87.43 13.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.74 -40.72 29.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 40' ' ' HIS . 42.5 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 153.53 31.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -72.06 129.79 39.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 -102.11 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 49.06 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.97 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.07 127.97 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 107.64 117.59 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 70' ' ' ILE . 15.1 mt -38.75 -65.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -37.27 -56.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -60.58 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -57.29 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 39.6 t -51.75 -52.14 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -47.57 -51.41 21.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.76 -49.01 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.49 -62.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.52 -53.32 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -42.65 -51.17 5.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -60.33 -69.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -40.19 -57.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 17.6 t80 -46.5 -42.15 15.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -64.0 -51.5 63.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.07 -59.73 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.69 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 mt -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.07 53.52 6.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 159.03 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.71 -44.32 9.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 157.52 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -141.06 171.12 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.74 126.23 36.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 20' ' ' PHE . 89.4 t -73.58 114.05 28.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.95 74.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -46.55 -24.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.14 -56.89 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.37 -39.08 56.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.13 -24.13 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -43.91 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.01 -12.24 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.1 m-70 -148.25 64.68 8.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -75.01 -22.46 14.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.63 -26.47 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -99.34 -58.24 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' HIS . 36.8 mt -99.25 117.28 33.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.1 p90 -158.08 -172.01 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -129.0 155.09 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -128.87 164.0 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.1 29.86 70.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.36 164.07 42.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.0 34.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.24 145.15 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.79 29.56 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.89 112.36 5.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 46' ' ' VAL . 35.0 t80 -116.69 94.76 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -134.79 -178.59 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.8 159.52 25.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -23.27 13.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -70.4 -6.32 34.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -103.89 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -38.51 139.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.43 174.82 22.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -63.29 -48.75 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.99 -32.22 5.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt180 -57.51 -52.79 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.9 mt -44.74 -68.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -42.18 -59.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.0 mtpt -39.98 -49.49 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' GLY . 92.0 mt -62.07 -46.9 95.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' CD1' HD23 ' A' ' 8' ' ' LEU . 4.9 mt -55.6 -40.86 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.72 -39.52 81.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 29.5 m -99.66 9.83 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.59 -6.76 51.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -95.13 -11.35 28.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.5 ptp180 -113.05 -9.34 13.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.6 mt -55.7 154.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -147.36 147.87 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.7 m-85 -124.65 120.81 32.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 73.6 t -102.86 130.41 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -113.04 72.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -39.8 68.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -141.96 93.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.95 11.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' THR . 12.3 pt-20 -51.8 -36.56 48.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.5 mt -49.66 -37.15 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.7 -32.39 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.4 m 54.96 79.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.9 m170 59.29 179.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 t -127.48 -62.36 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.95 146.93 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 t -167.33 55.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.7 78.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.1 p -162.07 133.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -142.41 92.92 2.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.05 168.63 12.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.13 129.63 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.69 -59.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m 60.79 90.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.3 168.3 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.21 161.91 9.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -135.22 110.84 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.52 131.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 85.17 114.67 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 HD23 ' CG ' ' A' ' 67' ' ' GLU . 18.0 mt -38.3 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -38.12 -60.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -57.38 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.466 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 5.9 mtm -48.8 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 25.5 t -46.79 -46.86 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.78 -63.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -51.88 -47.47 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 tp -42.93 -62.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 22.0 m-85 -57.65 -42.74 84.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 51.6 m -52.53 -51.58 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.09 -69.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -41.19 -48.82 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 16.9 t80 -54.62 -47.19 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.63 -46.49 88.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -42.83 -57.93 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -56.66 -39.46 73.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 76.8 mt -70.48 -18.58 62.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 78.31 51.06 5.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -125.42 164.89 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -95.02 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.05 168.06 19.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.02 153.43 34.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -129.56 164.37 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.17 110.61 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 20' ' ' PHE . 47.3 t -65.17 112.46 8.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.97 71.56 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -43.15 -26.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' GLU . 55.6 mt-30 -67.42 -58.83 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -50.0 -33.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -79.82 -25.54 40.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -81.04 -37.94 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.14 -10.8 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.416 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 46.9 m-70 -149.82 64.22 6.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.02 -21.71 15.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.01 -21.62 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 44.9 m-20 -105.12 -57.66 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -100.08 115.97 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -161.87 -170.73 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 55' ' ' PHE . 7.1 t -126.51 156.71 37.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 164.67 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.32 29.77 71.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.77 164.1 43.64 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.44 38.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.92 139.66 55.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.98 28.92 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -145.41 110.55 4.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 37.4 t80 -119.81 96.59 5.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -136.26 -175.42 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.64 159.87 64.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -22.78 14.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.7 p -69.8 -7.06 36.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -103.39 -56.32 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.419 ' CE1' HD12 ' A' ' 69' ' ' ILE . 5.9 m-85 -39.35 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.96 176.53 21.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -63.82 -48.5 79.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -33.06 4.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 23.7 mtt180 -56.82 -52.96 63.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.15 -70.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' CG ' HD23 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -39.29 -59.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -40.45 -52.35 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' GLY . 86.4 mt -59.15 -46.9 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.466 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.5 mt -55.52 -40.48 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.56 -31.51 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.48 10.36 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.82 -3.54 55.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -95.98 -10.75 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -19.94 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.9 mt -43.44 154.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.64 145.14 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -120.25 112.82 19.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.481 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.8 t -97.76 125.11 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.37 72.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 5.1 mmpt? -52.1 -46.75 65.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 67.1 mtt-85 -135.55 92.01 17.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.452 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.97 -32.0 5.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.7 pt-20 -43.58 -49.16 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 7.5 mt -45.07 -44.56 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.57 -40.38 87.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' GLU . 6.3 m 58.2 89.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -54.55 128.09 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -165.94 73.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 m -149.46 131.83 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.6 t -116.15 -37.44 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 75.78 157.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.9 t -140.34 82.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.8 p -159.11 150.96 20.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.63 106.61 0.99 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.7 p -45.57 163.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 p -141.55 139.84 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t 64.65 129.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.795 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -59.02 144.33 45.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -102.64 -63.1 0.72 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 1.2 t 80.29 -58.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.46 165.01 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 121.28 101.26 1.74 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 70' ' ' ILE . 14.3 mt -37.88 -64.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -37.85 -59.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -57.85 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 8.0 mtm -48.92 -60.89 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.516 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 54.4 t -48.39 -48.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.79 -45.63 63.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -69.12 -47.4 65.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.04 -62.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.42 -43.3 83.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.37 -51.46 58.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -60.67 -69.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -41.15 -55.74 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 14.6 t80 -50.04 -42.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.08 -45.02 87.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -46.6 -54.66 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.07 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 85.3 mt -81.53 -12.38 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.74 54.99 31.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.15 159.91 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -90.05 -46.02 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.39 154.52 21.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.68 157.67 31.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -140.6 171.82 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.6 123.46 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.52 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 47.2 t -70.05 113.62 19.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.02 77.38 3.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -50.4 -21.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -67.38 -57.81 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 19.7 mmtm -54.56 -36.3 64.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.93 -22.49 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -44.11 14.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.72 -11.58 59.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 15.6 m-70 -147.21 64.98 9.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -75.01 -18.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.61 -37.17 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -93.22 -57.64 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -96.28 120.51 36.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.7 p90 -167.85 -170.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG23 ' CE1' ' A' ' 55' ' ' PHE . 18.8 t -128.69 153.21 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 165.63 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 30.19 73.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.61 164.19 41.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.98 42.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.03 139.47 41.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.52 29.22 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.69 112.29 4.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -163.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 46' ' ' VAL . 25.4 t80 -121.39 96.0 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 -179.72 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.22 159.44 22.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -23.02 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -68.91 -7.92 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -102.73 -56.89 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.8 m-85 -38.09 138.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.53 -179.88 11.26 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -66.58 -49.05 53.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -31.79 5.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.4 mtt-85 -57.9 -52.59 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.5 mt -45.73 -65.88 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -44.61 -57.27 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 34.7 mtpt -39.61 -51.94 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' GLY . 71.4 mt -60.89 -47.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.2 mt -56.08 -40.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -57.96 -40.74 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.74 19.0 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -79.24 5.24 60.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.98 -15.71 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -108.66 -13.3 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -46.87 155.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 147.12 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.1 m-85 -122.56 119.0 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.453 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 97.7 t -101.91 121.87 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -106.93 74.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 11.6 mttt -64.39 -22.36 66.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -156.63 89.86 2.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.04 -31.54 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.47 -43.18 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 17.7 mt -47.45 -30.07 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.7 -43.38 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 17.7 m -45.62 141.26 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 87' ' ' THR . 8.5 t-80 85.22 -50.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.631 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -97.17 104.12 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.4 m -135.93 148.34 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 m -127.72 150.76 49.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.59 174.06 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.89 -58.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -177.33 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.07 162.83 12.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.79 4.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t 41.8 77.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -138.66 112.38 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m 61.83 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -171.05 162.38 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.68 -160.82 36.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -148.58 91.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.968 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p -152.55 94.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 125.95 118.09 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 67' ' ' GLU . 14.2 mt -37.39 -64.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 27.3 mtm-85 -36.46 -58.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -61.8 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.462 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 36.3 mtp -47.46 -57.05 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 68.1 t -52.1 -53.23 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.49 -46.69 38.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.77 -46.48 71.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -44.4 -62.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.0 m-85 -57.51 -53.31 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.2 m -43.92 -40.86 4.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -71.02 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -41.04 -33.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.626 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 11.0 t80 -65.55 -52.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -55.9 -42.04 75.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.08 -62.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.7 -35.41 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 93.9 mt -80.2 2.14 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 52.6 60.06 8.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t -128.54 159.57 35.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -91.58 -50.39 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -80.57 166.79 20.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 156.88 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -135.52 169.13 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.27 121.43 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 20' ' ' PHE . 99.4 t -71.51 113.75 22.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.0 72.5 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -42.95 -26.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 8.9 mm100 -68.94 -50.81 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.8 m-85 -75.81 -26.77 57.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -40.15 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.96 -15.44 51.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.55 ' CD2' HD11 ' A' ' 85' ' ' LEU . 52.0 m-70 -145.79 65.41 11.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.62 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.07 14.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.7 -20.67 35.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -101.47 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.35 117.72 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.8 p90 -159.99 -171.25 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.7 t -128.87 153.99 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.4 166.47 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.34 29.82 71.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.89 164.13 40.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.69 42.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.553 1.818 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.52 144.55 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 64.15 28.8 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.51 108.63 4.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.755 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 43.4 t80 -117.95 93.78 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -128.92 -172.52 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.79 157.78 89.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -10.15 21.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -7.85 59.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -103.47 -50.09 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CE1' HD12 ' A' ' 69' ' ' ILE . 5.4 m-85 -44.15 137.37 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.81 -179.98 9.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -48.87 58.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.87 5.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.8 mtt-85 -56.68 -51.47 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.4 mt -46.55 -66.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -43.96 -56.89 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 13.1 mtpt -40.03 -54.72 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.467 HD12 ' CE1' ' A' ' 61' ' ' TYR . 95.8 mt -59.8 -45.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 7.4 mt -56.36 -39.62 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.0 -34.06 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.36 11.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.91 -3.36 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -10.48 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.7 -15.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.4 mt -47.78 154.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -147.47 147.46 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 46' ' ' VAL . 7.1 m-85 -122.15 114.43 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.489 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 87.5 t -97.66 125.03 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.2 mm -107.76 73.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -43.44 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 3.8 mtt180 -135.06 90.03 22.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.0 pt-20 -48.23 -44.78 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD11 ' CD2' ' A' ' 40' ' ' HIS . 23.0 mt -45.07 -35.2 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 24' ' ' LEU . 24.4 mt -70.78 -42.78 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.9 m 63.0 96.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 151.46 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.94 120.57 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.0 m -73.25 139.24 46.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -136.29 132.65 36.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.0 123.5 27.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.61 136.78 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -158.39 142.98 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.6 164.59 10.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.97 39.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.01 90.87 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -95.67 129.99 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 t -93.77 144.65 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.953 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -154.97 -51.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.86 100.5 0.65 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m 62.38 132.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -161.06 -63.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -174.09 121.79 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 70' ' ' ILE . 14.7 mt -37.9 -64.38 0.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -38.2 -59.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.462 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 9.4 mtm -49.51 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.508 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 17.7 t -44.51 -45.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -50.06 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -65.17 -44.46 88.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.77 -64.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 25.1 m-85 -57.23 -42.84 82.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 m -49.4 -52.21 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 108.356 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.2 tttt -61.46 -67.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -40.26 -57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 24' ' ' LEU . 27.6 t80 -48.78 -41.34 32.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.74 -42.97 90.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -48.79 -59.6 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.42 68.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 20' ' ' PHE . 79.7 mt -71.46 -20.66 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.21 52.32 8.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.23 162.24 21.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -91.53 -47.73 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.5 167.7 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.37 149.06 25.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -128.81 168.6 15.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.47 119.28 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG21 ' CB ' ' A' ' 20' ' ' PHE . 91.3 t -66.72 114.18 16.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 69.98 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -46.34 -24.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -52.61 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 29.4 mmtm -55.8 -38.66 70.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.6 m-85 -71.73 -26.32 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.8 -44.02 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.71 -15.08 58.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.9 66.06 12.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.96 13.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.92 -28.27 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 27.7 m-20 -96.74 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.75 119.1 36.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -157.91 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 26.3 t -129.4 153.23 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -127.26 167.48 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.24 29.72 73.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.28 163.85 38.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 151.64 40.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.02 142.26 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 t30 67.97 29.21 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.94 112.69 4.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 39.4 t80 -114.59 94.04 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.55 -175.72 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 160.84 53.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.98 -21.53 15.8 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -70.86 -6.24 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -103.9 -57.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.63 136.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.71 -179.77 9.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -66.21 -48.66 58.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -32.9 4.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.1 mtt180 -56.97 -52.88 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 12' ' ' VAL . 29.5 mt -45.19 -64.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.9 mt-10 -45.92 -58.93 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 8.0 mttp -39.99 -49.68 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.9 mt -62.49 -47.36 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.7 mt -55.19 -40.06 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.14 -39.82 79.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 27.9 m -100.95 10.36 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.43 -7.51 52.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -95.24 -11.36 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -111.97 -11.65 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.55 154.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.48 147.36 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 6.9 m-85 -122.57 119.84 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 89.3 t -103.68 123.68 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.8 72.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.3 mmpt? -55.31 -42.78 74.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -138.61 91.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.441 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 -27.5 9.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.9 pt-20 -49.37 -40.12 34.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.418 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 27.6 mt -48.91 -33.67 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' HIS . 5.5 mt -74.37 -33.86 63.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 92.9 m 65.57 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 t-160 -145.76 -178.94 6.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.98 161.52 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.2 m -118.08 117.9 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -120.68 118.3 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.68 167.37 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.75 51.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 147.07 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.42 132.18 1.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 76.15 3.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.75 126.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.35 105.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.97 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 57.99 80.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 160.63 33.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 p -170.58 116.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.723 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -174.13 91.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.969 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 115.21 117.72 3.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 70' ' ' ILE . 15.3 mt -37.99 -66.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.8 mtm-85 -38.01 -60.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -54.61 29.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.477 ' HE1' ' CD1' ' A' ' 70' ' ' ILE . 9.5 mtm -53.23 -61.41 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 22.5 t -48.27 -45.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -45.61 76.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.74 -44.95 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -46.36 -64.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 19.2 m-85 -53.44 -47.0 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -46.22 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.16 -69.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -39.99 -60.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 15.9 t80 -47.5 -43.25 24.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.14 -44.24 97.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -47.91 -55.76 9.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -59.28 -37.63 78.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 90.9 mt -74.34 -13.25 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 62.34 58.47 12.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 153.66 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -81.41 -46.28 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -89.53 163.45 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.96 154.74 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -134.18 168.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.58 118.01 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG21 ' CD2' ' A' ' 20' ' ' PHE . 70.4 t -64.25 112.97 8.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.503 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.94 72.57 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -46.59 -24.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.68 -54.59 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 24.1 mmtm -55.51 -32.64 63.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 5.7 m-85 -78.25 -25.02 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -41.22 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.47 -17.85 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 45.4 m-70 -144.34 64.8 12.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -20.16 17.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.42 -22.98 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 72.7 m-20 -102.42 -53.7 2.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.4 115.96 31.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.8 p90 -159.51 -170.39 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.3 t -126.36 156.39 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.34 164.49 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.44 29.75 71.54 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.1 164.03 40.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.38 140.64 50.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 69.5 29.38 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.66 110.8 4.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.8 t80 -115.88 94.19 4.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -132.12 -174.21 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 158.05 73.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -10.68 21.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 p -81.69 -6.55 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -104.17 -52.01 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE1' HD13 ' A' ' 69' ' ' ILE . 4.7 m-85 -41.42 137.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.11 176.58 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.35 -48.52 75.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -74.96 -30.85 6.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 25.1 mtt180 -58.99 -54.13 50.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.84 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -38.95 -59.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 5.8 mtpm? -39.68 -52.01 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.501 HD13 ' CE1' ' A' ' 61' ' ' TYR . 88.8 mt -59.82 -46.78 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CD1' ' HE1' ' A' ' 11' ' ' MET . 4.2 mt -56.8 -41.89 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -57.04 -40.72 77.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.8 m -104.34 18.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -80.33 6.38 60.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -100.28 -14.71 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -110.63 -15.63 13.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.4 mt -43.64 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -147.75 148.65 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 7.0 m-85 -123.96 115.94 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.508 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 94.3 t -99.71 125.78 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.8 mm -107.85 72.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 5.4 mmpt? -52.91 -46.51 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.415 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 27.5 mtt85 -135.46 91.6 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -28.99 8.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.2 pt-20 -46.6 -46.4 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.421 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 8.2 mt -46.71 -34.75 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.082 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 24' ' ' LEU . 28.6 mt -68.65 -40.91 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.7 m 60.51 105.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -40.98 103.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.588 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -167.67 89.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.3 m -139.45 124.74 19.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.8 t -110.67 157.59 19.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -152.65 154.0 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 3.7 p -171.66 48.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.29 158.02 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.78 93.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.3 p -176.78 132.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -88.12 -61.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.64 108.69 19.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -130.38 140.63 50.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.08 178.18 18.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.14 83.66 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t 61.64 142.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 116.7 70.68 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 70' ' ' ILE . 17.0 mt -38.69 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -38.12 -55.79 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -60.55 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.485 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 9.8 mtm -47.35 -58.39 4.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 37.9 t -49.56 -51.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -55.37 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.39 -43.7 96.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.75 -65.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.9 m-85 -54.43 -43.6 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -52.6 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -41.5 -58.06 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 32' ' ' VAL . 15.4 t80 -48.01 -42.32 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.53 -42.39 99.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.17 -51.16 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.81 -25.8 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 96.0 mt -87.13 -9.93 54.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 60.24 55.12 31.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.54 154.92 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.4 p -82.34 -48.67 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.57 166.9 14.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.07 158.48 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.16 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.28 133.39 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 20' ' ' PHE . 72.2 t -79.56 114.4 45.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.23 2.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 27.3 m-85 -47.6 -23.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -67.71 -61.07 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -47.41 -37.76 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.672 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.2 m-85 -74.22 -31.42 62.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -75.74 -40.54 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.42 -16.39 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.573 ' CD2' HD11 ' A' ' 85' ' ' LEU . 60.3 m-70 -145.31 64.01 10.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -16.69 20.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -40.03 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -91.51 -55.43 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.5 118.27 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.475 ' CE1' HG11 ' A' ' 79' ' ' VAL . 9.5 p90 -167.09 -175.5 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 55' ' ' PHE . 8.3 t -124.16 154.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -127.61 168.32 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.71 74.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -84.91 164.16 43.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.0 42.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.53 139.14 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 69.47 28.83 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.39 109.54 4.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.88 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.9 t80 -112.14 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -125.4 -174.02 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.593 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -72.66 162.45 74.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -24.62 12.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -70.69 -6.13 34.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -104.06 -57.59 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.46 ' CE1' HD12 ' A' ' 69' ' ' ILE . 7.9 m-85 -38.76 138.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.54 179.16 12.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -65.16 -48.49 69.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -34.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.8 mtt180 -55.26 -51.93 65.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 mt -46.11 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -39.51 -59.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 3.6 mttp -39.65 -52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' GLY . 66.1 mt -59.66 -48.01 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 3.5 mt -55.07 -41.66 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.71 -38.78 75.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.52 12.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -72.74 -2.52 56.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -98.22 -10.82 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -112.26 -13.71 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 mt -50.18 155.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.57 147.44 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.492 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.6 m-85 -121.92 116.66 24.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG11 ' CE1' ' A' ' 45' ' ' TYR . 97.0 t -100.45 118.98 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -104.6 73.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 15.0 mttt -62.11 -33.44 74.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 68.2 mtt180 -142.96 89.27 7.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.433 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -36.64 2.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.18 -41.56 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 40' ' ' HIS . 38.7 mt -45.17 -42.69 9.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.91 -42.66 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m 62.45 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.05 -178.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p 43.67 81.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 91' ' ' THR . 16.5 m -98.67 148.86 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.423 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 90' ' ' THR . 21.5 m -95.76 134.05 39.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.97 -59.6 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t 61.54 107.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.39 95.88 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -127.51 97.52 0.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 62.7 5.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.95 145.11 30.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.9 p -178.59 121.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 138.92 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -121.34 127.59 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.64 110.55 3.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.103 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -144.93 86.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.2 87.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -144.27 102.95 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 70' ' ' ILE . 17.4 mt -38.47 -63.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' LEU . 41.1 mtm180 -37.3 -53.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.505 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 38.9 mtp -42.69 -57.85 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 48.8 t -50.84 -54.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -46.22 -52.09 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -62.68 -47.43 83.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tp -42.43 -62.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.9 m-85 -58.62 -42.18 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.2 m -50.77 -53.03 35.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -61.12 -68.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -40.4 -57.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' A' ' 32' ' ' VAL . 14.2 t80 -48.53 -42.82 34.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -63.83 -48.67 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -41.38 -58.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -55.98 -34.89 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 84.1 mt -74.77 -20.48 59.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.1 49.49 21.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.76 163.54 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -92.08 -49.04 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.93 167.88 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.59 152.06 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -132.29 166.67 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.4 119.43 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 20' ' ' PHE . 78.1 t -65.66 114.26 15.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.98 70.44 5.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -40.75 -28.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -65.08 -55.25 19.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -49.86 -37.57 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.2 m-85 -75.76 -22.47 56.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -80.15 -44.7 19.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -7.24 59.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -153.0 64.82 5.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 -21.08 16.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.87 -31.36 31.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 8.4 m-20 -90.48 -59.39 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.01 115.86 29.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -154.43 -171.17 3.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 55' ' ' PHE . 7.5 t -130.15 155.38 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.91 164.6 21.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.41 30.39 71.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -85.94 163.95 41.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.93 43.05 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.55 138.96 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t30 69.88 29.41 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -145.24 112.76 4.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 30.7 t80 -119.15 96.22 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -139.1 171.24 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 160.17 0.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.02 -27.56 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -13.11 27.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.9 m95 -96.42 -58.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 108.025 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.9 m-85 -37.45 137.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.58 -179.86 11.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -66.24 -48.47 58.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 18.7 mtt180 -57.34 -53.05 62.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 12' ' ' VAL . 30.7 mt -43.89 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -41.11 -57.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.2 mtpt -39.83 -55.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 96.4 mt -60.05 -41.7 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 11.7 mt -60.6 -38.16 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -63.03 -28.09 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 HG12 ' CZ ' ' A' ' 75' ' ' ARG . 34.3 m -112.56 11.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.71 -4.02 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.49 -11.67 27.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 4.9 ptp180 -112.75 -13.86 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 mt -52.18 155.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -147.38 149.12 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -123.57 118.75 28.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 88.1 t -102.81 125.77 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.8 mm -106.25 73.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.5 mmpt? -54.05 -46.04 71.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 30.4 mtt180 -134.79 90.88 21.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.08 -32.43 5.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -43.43 -46.79 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 12.4 mt -45.05 -42.97 9.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' CD1' HD21 ' A' ' 24' ' ' LEU . 33.4 mt -61.62 -43.77 98.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.1 m -56.26 -61.97 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.432 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 41.92 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.8 t -48.13 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 t -162.18 126.04 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.3 t -127.43 136.01 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.32 119.7 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.253 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.92 135.92 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.2 t 178.67 150.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.37 -162.42 14.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.97 144.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 p -161.01 83.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m 55.44 83.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p -139.9 91.95 2.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.02 -62.75 0.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p 41.07 90.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.5 -42.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -66.36 113.28 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 67' ' ' GLU . 13.1 mt -37.72 -62.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -38.03 -58.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -60.43 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.429 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -46.53 -63.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 31.1 t -46.25 -47.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -53.66 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -44.89 96.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.1 -62.89 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 27.8 m-85 -59.36 -53.04 62.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.7 m -42.87 -33.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -79.97 -69.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -41.95 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 11.5 t80 -67.62 -56.79 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.7 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.32 -59.86 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.0 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 96.8 mt -82.7 3.38 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.36 57.85 7.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 164.88 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -90.87 -49.46 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.21 167.87 12.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.65 162.94 23.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -141.3 169.12 18.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.68 122.05 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.94 113.22 13.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 75.01 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -45.8 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.73 -59.8 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -49.46 -36.81 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.3 m-85 -75.86 -25.82 56.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -80.41 -40.84 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.6 -13.97 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -146.19 65.8 10.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.29 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.26 -30.89 30.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 39.9 m-20 -89.54 -61.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 121.36 41.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.4 p90 -160.78 -173.08 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 55' ' ' PHE . 24.3 t -125.87 153.31 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 167.03 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.9 29.77 75.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.01 163.98 43.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.64 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.11 140.23 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.405 ' O ' HG12 ' A' ' 53' ' ' ILE . 1.8 t-20 69.96 28.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.3 mt -146.09 110.49 4.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.4 t80 -118.41 95.12 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.01 175.97 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.21 159.3 11.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -22.04 15.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -6.91 36.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -104.03 -55.19 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 5.2 m-85 -40.14 138.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.3 -179.81 10.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.555 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.54 -49.25 52.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.41 5.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 9.0 mtt180 -57.16 -52.53 64.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 12' ' ' VAL . 28.7 mt -45.45 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HD22 ' A' ' 8' ' ' LEU . 1.4 mt-10 -47.1 -55.8 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.2 mtpp -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 73' ' ' GLY . 90.6 mt -62.45 -45.14 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.443 ' CD1' HD21 ' A' ' 8' ' ' LEU . 8.4 mt -56.91 -39.25 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -60.25 -37.27 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.9 m -106.65 16.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.24 3.78 61.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -100.01 -12.2 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -114.92 -8.11 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.31 155.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -147.77 149.76 32.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' A' ' 46' ' ' VAL . 7.9 m-85 -124.81 114.64 19.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 92.1 t -94.8 126.89 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.5 mm -108.95 72.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 6.3 mmpt? -56.44 -43.18 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -134.65 90.06 24.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.05 -34.42 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.26 -44.24 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt -47.48 -42.44 22.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' CD1' HD22 ' A' ' 24' ' ' LEU . 15.6 mt -70.3 -42.28 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.422 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 94.5 m -54.82 130.51 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.422 ' CB ' ' O ' ' A' ' 87' ' ' THR . 6.4 t-160 81.7 66.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.48 128.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -155.3 131.39 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.7 p -88.93 179.44 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -145.95 142.13 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.56 143.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.2 p -175.34 139.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -179.4 157.24 20.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.6 15.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 t -100.96 -58.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p -154.66 160.8 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -156.01 93.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 74.26 -66.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.38 -45.86 5.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m 47.03 95.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.53 159.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 112.72 69.7 0.54 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 70' ' ' ILE . 17.7 mt -38.37 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.4 mtm180 -37.36 -56.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -55.53 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.407 ' HE1' ' CD1' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -51.04 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 20.7 t -50.05 -47.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -53.05 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -45.21 -62.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.1 m-85 -56.33 -45.97 80.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -49.46 -58.93 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -52.03 -70.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -40.52 -57.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 13.1 t80 -46.57 -42.03 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.2 -49.63 75.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -42.26 -57.08 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.61 86.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 78.4 mt -69.99 -10.6 59.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.53 56.3 23.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.47 162.95 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -94.73 -42.31 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.43 162.65 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.67 137.39 32.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -119.62 169.75 9.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 121.31 31.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' CB ' ' A' ' 20' ' ' PHE . 58.5 t -67.13 113.8 15.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.07 75.32 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.533 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 35.5 m-85 -47.03 -23.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.0 -55.26 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -52.39 -34.7 49.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.1 m-85 -80.13 -23.82 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -37.49 31.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.07 -15.78 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -143.75 64.67 13.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 -23.45 13.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -77.91 -24.42 48.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -100.36 -57.53 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 mt -100.63 116.06 31.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -154.76 -173.84 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.577 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 55.6 t -130.94 138.23 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 46' ' ' VAL . 1.2 mm-40 -110.64 168.69 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.28 29.69 73.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.39 164.0 37.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.43 42.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.85 139.96 41.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 70.03 29.15 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.95 112.7 4.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.35 2.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.584 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 46.2 t80 -109.7 90.92 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -130.75 -175.12 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.533 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.08 162.33 47.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -22.5 14.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -6.56 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.12 -52.8 2.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 5.4 m-85 -43.11 138.24 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.85 -179.79 11.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -49.19 56.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -32.16 5.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 32.0 mtt180 -57.53 -50.32 73.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -47.15 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.96 -58.01 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.6 mttt -39.79 -51.15 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 90.0 mt -61.44 -46.59 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CD1' HD21 ' A' ' 8' ' ' LEU . 5.2 mt -56.36 -40.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.05 -35.6 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 m -107.67 13.37 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.38 -6.01 52.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -94.57 -16.08 23.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -107.09 -9.52 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.81 154.5 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -147.49 148.69 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 10.0 m-85 -125.12 119.06 27.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 91.1 t -103.04 127.96 56.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.9 mm -110.32 72.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.86 -40.16 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -138.33 89.45 14.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 -29.58 8.0 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.5 pt-20 -49.26 -42.64 41.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt -45.39 -40.37 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.98 -42.78 94.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.5 m 62.83 136.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -48.63 153.1 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 p -164.08 164.17 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -119.14 147.52 44.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -149.56 161.11 42.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -178.23 -60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.8 t 60.11 96.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 132.13 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.37 157.38 22.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 158.7 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.8 p -155.3 85.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.6 p -175.09 86.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -170.27 157.95 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m 60.04 157.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.93 137.07 7.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -59.4 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 168.52 8.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 125.02 64.63 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 70' ' ' ILE . 13.4 mt -37.38 -64.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -38.7 -60.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -51.71 -58.41 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.48 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 9.8 mtm -49.47 -60.25 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 25.3 t -49.91 -49.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.51 -45.25 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.55 -44.99 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.7 -63.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -55.01 -43.09 73.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.82 -61.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -41.28 -59.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' HG23 ' A' ' 32' ' ' VAL . 12.7 t80 -46.1 -41.71 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.86 -45.23 94.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.07 -58.93 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.28 -28.82 63.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 86.8 mt -80.82 -18.76 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 68.65 47.78 54.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.96 159.75 19.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -87.43 -46.82 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.69 167.35 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.88 156.81 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -140.66 167.1 22.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.35 137.6 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG23 ' CD2' ' A' ' 20' ' ' PHE . 99.7 t -85.09 114.07 53.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 72.55 4.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -46.81 -23.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -51.96 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.6 m-85 -78.79 -22.27 46.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.56 -42.54 18.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.11 -13.24 56.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 39.4 m-70 -145.24 64.32 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 -17.02 19.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.4 -32.69 32.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.07 -59.11 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.19 118.89 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -160.51 -168.36 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 55' ' ' PHE . 24.1 t -131.78 155.77 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -128.68 164.25 23.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.11 29.77 72.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.26 163.97 45.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.05 42.21 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.56 138.85 47.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 69.97 28.61 4.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mt -145.69 109.4 4.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.87 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 46' ' ' VAL . 32.0 t80 -116.23 92.13 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -130.11 179.51 5.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.64 161.71 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.99 -29.23 8.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 p -66.4 -10.27 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -98.3 -52.23 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 107.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.537 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.7 m-85 -44.8 139.96 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.67 -179.78 11.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.75 -49.27 50.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.35 5.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -57.17 -51.26 70.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD2' HG23 ' A' ' 12' ' ' VAL . 34.4 mt -46.6 -67.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -41.67 -59.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.5 mtpt -40.48 -52.86 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.537 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 80.8 mt -58.68 -47.19 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 3.4 mt -56.37 -40.94 69.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.07 -32.88 70.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 75' ' ' ARG . 35.1 m -107.31 11.22 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.28 -6.34 61.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -9.13 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 4.0 ptp180 -114.75 -13.75 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.5 mt -50.84 155.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -147.57 142.94 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 7.8 m-85 -119.2 118.87 32.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 79.7 t -102.85 129.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.3 mm -111.66 75.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -33.86 73.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -145.32 91.43 5.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -31.17 6.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -46.88 -43.98 19.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -48.83 -37.84 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CD1' HD21 ' A' ' 24' ' ' LEU . 23.6 mt -65.02 -39.51 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 11.2 m -52.74 120.2 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.475 ' CB ' ' O ' ' A' ' 87' ' ' THR . 2.7 t-80 86.56 91.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -178.93 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 m -137.39 150.87 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.6 p -118.91 77.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.4 t 53.01 79.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.7 p -117.61 124.38 48.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.39 94.54 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.25 20.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.466 1.771 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.4 t -81.84 -57.37 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m -87.64 162.51 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.09 88.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -112.22 171.12 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.73 100.82 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -124.24 -56.74 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.29 141.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 118.45 171.05 15.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD22 ' CG ' ' A' ' 67' ' ' GLU . 15.6 mt -37.6 -66.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.5 mtt180 -36.82 -60.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -50.53 -56.86 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.493 ' HE2' ' CD1' ' A' ' 70' ' ' ILE . 9.9 mtm -51.75 -67.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 24.4 t -41.84 -42.43 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -50.09 74.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' MET . 13.2 mm-40 -65.15 -44.86 87.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -44.32 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.4 m-85 -56.89 -43.73 81.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.68 -49.54 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -62.71 -67.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -42.48 -57.14 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 19.4 t80 -47.22 -40.23 15.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -67.08 -46.66 73.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -44.48 -58.33 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.5 -39.15 75.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 85.4 mt -70.96 -15.72 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.77 52.19 40.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.15 160.11 25.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -88.59 -45.7 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.66 167.42 16.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.51 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -138.43 169.6 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.22 122.15 32.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 20' ' ' PHE . 59.1 t -69.0 113.56 17.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.95 4.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -43.19 -29.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -60.65 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -51.12 -44.38 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.0 m-85 -66.45 -24.27 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -41.37 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.98 -10.85 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.7 m-70 -144.18 64.1 12.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 -21.3 16.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -81.67 -28.6 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -97.55 -62.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.1 115.83 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 4.2 p90 -156.84 -171.58 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 ' CE1' ' A' ' 55' ' ' PHE . 53.2 t -129.09 151.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 46' ' ' VAL . 52.0 mm-40 -123.97 162.26 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.42 29.72 71.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.29 164.15 47.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.51 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.6 138.85 57.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.53 29.25 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.85 111.13 4.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.6 t80 -115.28 92.9 4.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 178.18 6.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.59 160.12 20.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.01 -21.16 16.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -71.54 -6.35 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 63.9 m95 -104.32 -57.56 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.474 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.5 m-85 -37.83 134.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -63.83 179.8 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.49 -48.93 65.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.67 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mtt-85 -56.3 -51.72 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 12' ' ' VAL . 29.1 mt -47.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' CG ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.6 mtpt -39.39 -54.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 HD11 ' CE1' ' A' ' 61' ' ' TYR . 82.2 mt -59.56 -46.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.493 ' CD1' ' HE2' ' A' ' 11' ' ' MET . 4.4 mt -55.44 -40.82 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.57 -39.66 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 32.7 m -99.14 8.54 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -67.21 -8.22 49.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -93.81 -12.52 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 6.0 ptm180 -112.53 -8.36 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.25 154.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.43 141.29 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 10.4 m-85 -119.5 118.71 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 71.3 t -101.61 132.23 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.7 mm -113.32 74.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -43.6 86.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -136.27 90.47 17.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.01 -35.26 3.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.0 -36.58 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.6 mt -51.16 -44.41 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.62 -42.58 99.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 51.94 175.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.2 152.19 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.9 155.29 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 t -112.43 141.89 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -128.03 144.97 51.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -158.19 131.52 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 p -168.68 127.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.1 t -137.75 136.71 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.09 106.95 0.3 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.18 114.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -50.36 157.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.412 ' N ' HE22 ' A' ' 14' ' ' GLN . 77.3 p -160.55 141.26 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.16 160.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.57 -118.31 0.82 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p 39.45 80.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 0.0 110.032 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p 177.95 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -115.96 114.02 3.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 70' ' ' ILE . 15.0 mt -38.14 -65.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 74.9 mtm180 -36.97 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -57.23 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 8.4 mtm -49.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 38.2 t -48.22 -48.84 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.11 -40.97 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.412 HE22 ' N ' ' A' ' 2' ' ' SER . 5.1 mm100 -74.73 -43.4 55.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.05 -62.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 26.7 m-85 -57.42 -50.57 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.0 m -44.24 -37.24 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -76.24 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.7 mmtt -43.5 -27.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 8.9 t80 -71.42 -56.34 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -53.94 -40.75 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.07 -62.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.12 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 87.4 mt -84.23 5.48 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 49.7 58.87 7.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -129.33 142.86 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -78.46 -50.43 11.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.57 158.84 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.57 157.67 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -142.17 169.28 17.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.56 34.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -79.39 114.32 44.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 76.16 3.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -46.61 -23.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.32 -60.07 3.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -49.31 -38.86 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.1 m-85 -74.43 -24.87 59.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -39.57 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.4 57.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -149.78 65.62 7.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.622 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.93 -31.15 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.4 m-20 -92.3 -60.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.85 122.82 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.9 p90 -162.05 -175.36 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 55' ' ' PHE . 40.3 t -127.87 145.16 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 46' ' ' VAL . 2.1 mm-40 -119.29 171.01 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.53 29.73 71.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -87.61 164.04 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.54 42.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.53 138.6 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 70.08 28.99 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.25 110.12 4.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 45.5 t80 -119.6 96.23 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.01 170.66 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.86 158.15 1.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -25.53 11.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -67.59 -9.26 41.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.83 -55.86 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 108.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.448 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.2 m-85 -39.24 139.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.07 -179.9 12.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.52 -48.98 54.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt85 -57.13 -49.37 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 12' ' ' VAL . 32.6 mt -47.82 -69.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -42.37 -58.14 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' GLU . 33.5 mtpt -39.18 -50.04 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' GLY . 79.9 mt -62.45 -46.32 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.471 ' CD1' HD22 ' A' ' 8' ' ' LEU . 5.0 mt -56.6 -39.64 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -60.65 -31.46 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 m -111.09 14.61 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -76.74 2.14 60.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.31 -9.89 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -115.01 -15.46 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -46.59 156.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -147.64 148.58 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.1 m-85 -122.96 111.92 17.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 91.1 t -94.96 125.07 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.1 mm -108.13 72.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.9 mmpt? -54.38 -45.17 72.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -136.25 91.98 16.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.445 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.95 -30.48 7.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.4 pt-20 -43.83 -46.95 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -44.79 -41.21 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 24' ' ' LEU . 18.6 mt -68.94 -39.42 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.4 m 60.47 146.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -67.33 113.39 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.33 145.02 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -112.7 153.52 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 t -174.11 59.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.16 104.5 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 m -88.75 170.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 t -123.35 118.19 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.42 -179.03 9.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.32 33.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 m -122.3 87.35 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 t -112.32 121.65 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.1 107.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -142.36 -52.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.87 65.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.85 145.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 0.8 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.59 -65.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -171.56 124.19 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 70' ' ' ILE . 13.1 mt -37.66 -63.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -37.95 -61.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -59.18 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.466 ' HE1' ' CD1' ' A' ' 70' ' ' ILE . 15.0 mtm -48.51 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.0 t -43.84 -47.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -51.16 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -64.14 -43.6 94.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.1 -62.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.1 m-85 -58.67 -41.18 85.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -53.19 -52.38 59.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -61.03 -69.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -40.83 -55.26 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.3 t80 -49.81 -45.48 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.89 -49.65 75.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -40.34 -58.06 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.04 -37.54 71.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 81.0 mt -72.88 -17.5 61.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.24 52.58 21.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.75 164.38 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -91.56 -49.74 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.54 167.57 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.31 154.94 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -135.34 169.27 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.55 124.13 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG21 ' CD2' ' A' ' 20' ' ' PHE . 55.4 t -72.13 114.3 28.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.98 80.37 2.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -49.87 -21.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.17 -50.71 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -56.94 -28.13 61.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.0 m-85 -86.36 -25.94 25.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -35.39 38.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.77 45.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -151.93 65.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.36 15.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.74 -22.62 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 30.6 m-20 -99.42 -59.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.93 118.12 36.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.1 p90 -158.07 -174.87 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 55' ' ' PHE . 54.1 t -129.17 139.61 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' HG12 ' A' ' 46' ' ' VAL . 20.2 mm-40 -113.01 169.52 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.58 29.56 72.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.15 163.87 35.5 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.542 0.79 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.78 41.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.85 139.92 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.16 29.1 3.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.82 110.58 4.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.99 2.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 21.5 t80 -108.52 90.22 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.75 174.56 9.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 162.46 5.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -22.26 14.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -7.36 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -103.73 -53.53 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.548 ' CE1' HD13 ' A' ' 69' ' ' ILE . 6.0 m-85 -42.87 135.7 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.28 -179.73 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.0 -48.7 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -33.0 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.2 mtt180 -56.96 -53.71 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' CG2' ' A' ' 12' ' ' VAL . 28.3 mt -43.89 -64.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.3 mt-10 -47.11 -58.28 4.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mtpm? -39.74 -49.69 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 61' ' ' TYR . 81.5 mt -63.66 -46.73 93.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.466 ' CD1' ' HE1' ' A' ' 11' ' ' MET . 4.1 mt -55.63 -39.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.63 -40.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.41 15.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -74.61 -0.22 58.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.5 -14.27 20.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.39 -8.53 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mt -55.47 155.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -147.64 150.56 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.518 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.8 m-85 -126.31 111.03 14.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 88.0 t -95.3 124.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.54 71.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 5.8 mmpt? -53.21 -44.21 67.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mtt180 -136.74 91.84 15.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.433 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 -31.13 6.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -48.36 -40.84 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 52.6 mt -47.43 -36.83 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.69 -43.17 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m 62.38 126.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -64.78 147.2 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.9 t -135.55 102.32 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 t -70.62 137.1 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.6 m -148.25 -57.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 39.8 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.51 114.47 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.93 148.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 161.99 120.03 0.52 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.19 21.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 m -125.57 148.96 48.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.009 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 138.8 54.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -111.75 -56.2 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.3 105.35 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.71 135.53 45.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m 62.95 110.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.036 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.32 -70.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -167.68 123.19 1.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 70' ' ' ILE . 13.7 mt -37.86 -61.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -42.47 -46.79 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -65.87 -59.3 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.429 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 0.7 OUTLIER -47.81 -59.0 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 16.5 t -48.78 -40.79 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -67.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -47.02 -43.21 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -46.45 -64.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.0 m-85 -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.12 -49.09 69.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -63.98 -66.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -43.11 -48.35 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 28.3 t80 -56.39 -43.1 78.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.29 -42.02 93.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.91 -57.98 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 78' ' ' PHE . . . -57.52 -40.85 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 83.2 mt -69.9 -15.82 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.78 58.29 4.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -130.85 157.05 43.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -88.09 -54.57 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 167.48 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.66 154.5 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -134.41 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.17 123.3 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.512 HG23 ' CG ' ' A' ' 20' ' ' PHE . 80.7 t -77.42 115.09 46.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 73.77 4.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -47.04 -25.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.0 -51.53 31.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.95 -30.1 45.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.2 m-85 -81.45 -26.68 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -40.54 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.62 -13.29 56.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 75.2 m-70 -151.84 64.23 5.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 -27.02 10.43 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -73.22 -19.45 61.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -104.86 -55.84 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.94 115.91 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.0 p90 -154.96 -170.57 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 55' ' ' PHE . 80.9 t -133.16 140.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' HG11 ' A' ' 46' ' ' VAL . 1.2 mm-40 -112.36 167.49 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 29.77 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.94 164.17 45.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.04 30.92 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.09 140.43 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.71 28.93 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.59 110.8 4.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.6 t80 -117.31 92.2 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -127.04 -171.21 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.85 160.92 80.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -19.24 18.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.9 m -75.22 -7.35 53.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.32 -52.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 5.4 m-85 -41.75 136.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.38 -179.75 6.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -65.99 -49.37 57.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 8.3 mtt180 -56.71 -50.8 71.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.5 mt -47.17 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.87 -57.0 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.1 mttp -39.24 -54.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 84.9 mt -58.42 -46.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.451 ' CD1' HD21 ' A' ' 8' ' ' LEU . 9.8 mt -56.66 -41.46 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.06 -36.88 71.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 m -107.2 15.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.09 0.13 59.51 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.97 -14.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 3.7 ptm85 -111.91 -9.37 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.3 mt -50.56 155.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.46 147.59 30.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.0 m-85 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.516 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 91.8 t -97.15 128.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.9 mm -109.59 72.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -45.19 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -136.11 91.44 17.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.446 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.98 -21.13 16.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.09 -39.96 72.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 mt -50.34 -23.54 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.7 mt -85.09 -45.05 12.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.8 m -47.1 96.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -146.89 170.98 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.523 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.6 m -71.61 106.03 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.9 m -152.04 133.4 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -107.1 156.25 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.0 124.66 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.8 147.91 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 t -149.2 124.1 9.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.61 155.66 16.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.9 m -54.56 151.53 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.02 152.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.16 152.03 47.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.999 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -127.05 -57.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.07 169.94 20.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.94 -53.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -170.76 118.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 147.82 156.33 6.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD23 ' CG ' ' A' ' 67' ' ' GLU . 14.0 mt -36.99 -64.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 65.3 mtm180 -36.99 -62.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -53.9 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.467 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -50.02 -58.42 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.954 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 23.7 t -55.15 -42.46 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.07 -41.76 79.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -73.35 -47.41 42.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.07 -62.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.2 m-85 -57.48 -48.38 79.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.1 m -47.12 -39.76 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 108.288 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -72.58 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -44.28 -33.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 10.5 t80 -66.42 -55.16 17.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.68 72.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.77 -63.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.32 -33.27 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 82.5 mt -84.63 7.55 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 60.1 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -126.0 152.85 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 m -85.46 -52.01 6.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 166.6 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.94 155.77 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.41 170.18 16.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.26 136.39 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -84.44 114.1 52.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.02 74.39 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -45.43 -24.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -52.89 37.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 85' ' ' LEU . 60.7 mmtt -55.17 -36.17 65.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.6 m-85 -77.76 -24.93 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -39.46 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.66 -9.81 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 68.1 m-70 -152.28 64.8 5.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.01 -20.4 16.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.7 -29.56 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 28.6 m-20 -94.62 -60.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.83 118.26 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -157.83 -173.82 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.568 HG21 ' CZ ' ' A' ' 78' ' ' PHE . 75.4 t -130.37 139.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 2.8 mm-40 -111.91 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.2 29.66 73.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.45 164.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.48 36.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.17 141.92 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 29.27 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -144.96 110.61 4.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.597 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 44.7 t80 -120.13 94.76 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -132.5 -176.65 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 157.94 58.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.95 -21.6 15.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.7 p -72.19 -7.2 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -103.47 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 4.1 m-85 -40.29 140.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.39 176.72 22.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.62 -48.8 73.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.2 mtt180 -58.74 -52.11 67.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.8 mt -45.49 -69.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -42.41 -56.91 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.7 mttp -39.08 -55.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 73' ' ' GLY . 83.6 mt -57.55 -45.39 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 9.4 mt -57.75 -41.48 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -60.47 -26.88 67.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.88 16.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.93 4.92 59.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -100.1 -13.29 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -112.62 -13.83 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -46.29 155.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -147.62 143.41 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 7.8 m-85 -120.41 112.57 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 87.4 t -95.05 126.17 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' A' ' 24' ' ' LEU . 2.4 mm -107.83 71.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 6.2 mmpt? -52.21 -45.11 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 18.9 mtt180 -140.62 94.74 8.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 -27.21 10.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 pt-20 -46.58 -48.02 19.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 7.3 mt -45.91 -34.26 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 mt -69.61 -41.86 75.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.9 m 63.14 104.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.08 149.01 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.32 101.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m 61.72 111.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -146.75 156.7 43.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -170.7 84.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.68 170.83 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.16 109.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.0 176.93 16.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.08 13.88 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.7 t -172.31 155.22 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 p 52.45 178.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 64.22 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.48 123.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.78 65.34 0.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -168.98 100.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.08 175.33 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -52.87 121.1 14.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 70' ' ' ILE . 12.5 mt -37.38 -63.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -37.6 -62.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -55.74 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.468 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 9.6 mtm -52.17 -62.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 25.0 t -48.27 -44.96 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.46 -42.17 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -73.65 -45.8 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -42.29 -63.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 25.8 m-85 -56.38 -47.68 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 34.7 m -46.86 -57.97 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 tptt -53.08 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 41.3 mmtt -39.86 -55.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 24' ' ' LEU . 15.2 t80 -47.73 -50.17 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.69 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -45.57 -59.97 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.07 -29.63 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 20' ' ' PHE . 98.7 mt -85.2 5.3 30.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.3 56.45 7.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.87 164.22 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.62 -49.17 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -90.82 167.92 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.79 159.47 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 18.8 mtpt -141.4 169.03 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.43 140.73 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG22 ' CG ' ' A' ' 20' ' ' PHE . 90.1 t -88.91 113.63 56.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -41.66 -27.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -65.94 -56.14 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -49.58 -38.14 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.26 -29.71 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.42 -37.06 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.51 -12.81 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 88.8 m-70 -149.76 64.34 6.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.536 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -21.94 15.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -79.07 -28.62 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 68.8 m-20 -97.06 -56.75 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -99.78 119.72 38.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -162.91 -174.43 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 55' ' ' PHE . 10.2 t -126.13 154.38 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.66 168.41 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 29.87 75.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.08 163.97 40.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.61 41.22 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.22 142.7 50.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 66.84 29.13 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.12 110.19 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.2 t80 -118.17 95.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -133.53 -175.71 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 160.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 -24.3 12.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -68.08 -8.6 39.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 23.3 m95 -101.7 -58.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CE1' HD12 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.64 137.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.31 -179.9 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.05 -49.04 58.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.3 mtt180 -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 12' ' ' VAL . 26.1 mt -46.6 -63.13 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 70' ' ' ILE . 1.4 mt-10 -48.03 -57.53 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mttt -39.71 -48.68 2.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.489 HD12 ' CE1' ' A' ' 61' ' ' TYR . 79.7 mt -64.45 -46.54 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 4.4 mt -55.91 -39.17 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.76 -37.05 80.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 m -104.54 14.07 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.08 -0.23 60.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -98.65 -9.67 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -115.42 -13.21 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.4 155.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.77 147.13 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 7.8 m-85 -123.87 115.07 20.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 94.4 t -97.09 126.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -108.35 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -52.72 -45.83 67.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 30.6 mtt180 -136.38 92.49 15.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.455 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.5 Cg_endo -75.01 -32.93 4.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.1 pt-20 -42.94 -45.56 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 82' ' ' ARG . 11.9 mt -45.13 -45.35 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' CD1' HD23 ' A' ' 24' ' ' LEU . 37.1 mt -59.99 -38.66 83.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 16.0 m 59.7 85.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -56.77 133.5 54.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 91.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.8 p -86.73 169.46 12.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m 38.84 87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -105.53 12.5 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.0 p -165.68 148.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -57.6 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.9 160.78 9.19 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.4 m -156.84 134.27 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 p -161.43 156.28 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 p -142.62 143.61 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.31 85.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.59 151.21 6.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 170.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -89.4 133.04 34.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -175.13 125.34 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 67' ' ' GLU . 13.9 mt -37.61 -64.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -37.56 -56.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -58.85 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 2.7 mtm -46.99 -58.63 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.3 t -53.71 -35.31 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.82 -54.66 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -41.67 -62.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 23.7 m-85 -58.35 -51.52 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -43.72 -41.28 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -71.33 -64.05 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -43.7 -39.47 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.589 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 7.5 t80 -59.33 -54.31 48.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -54.68 -42.71 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -48.26 -63.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.15 67.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 90.5 mt -84.17 6.63 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 50.1 59.77 7.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 t -130.98 154.86 47.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -88.68 -53.36 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.17 167.94 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.14 157.37 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -141.55 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 136.13 33.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -84.12 114.18 52.79 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 71.54 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -42.93 -26.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -48.71 -38.72 22.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.77 -32.28 65.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -37.64 59.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.53 -11.95 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -146.37 65.28 10.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.17 18.14 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -83.26 -37.37 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -86.79 -61.86 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 86' ' ' LEU . 12.9 mt -97.38 118.67 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.7 p90 -159.6 -169.68 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 55' ' ' PHE . 25.8 t -129.35 155.22 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.43 164.97 20.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.97 29.82 75.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.34 164.25 46.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 145.65 31.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.87 144.5 57.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.73 29.39 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.57 110.8 4.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.662 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.2 t80 -121.27 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 -175.12 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 156.7 76.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.03 -11.24 21.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 p -81.08 -8.19 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -103.54 -53.11 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.3 m-85 -39.35 139.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.42 176.36 19.06 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -64.29 -49.53 72.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -31.14 6.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 17.0 mtt-85 -58.61 -51.28 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 12' ' ' VAL . 31.5 mt -47.54 -68.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.98 -56.62 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' GLU . 12.2 mtpt -40.26 -56.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 97.6 mt -55.07 -44.66 75.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 9.7 mt -58.4 -41.31 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -61.29 -26.77 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 29.7 m -111.76 10.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.92 -5.35 52.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.28 -10.13 33.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -115.06 -12.19 11.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.4 mt -50.62 152.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.63 143.38 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CE1' HG22 ' A' ' 46' ' ' VAL . 7.2 m-85 -119.88 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 70.9 t -100.62 127.32 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 1.8 mm -109.86 74.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -40.57 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' CB ' HD12 ' A' ' 85' ' ' LEU . 38.7 mtt180 -138.14 90.31 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 87' ' ' THR . 8.6 pt-20 -42.45 -51.26 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt -45.11 -40.35 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 24' ' ' LEU . 12.9 mt -70.08 -45.6 66.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 84' ' ' GLU . 12.0 t -90.52 43.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -159.22 61.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.584 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -166.81 -69.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -54.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m 60.04 78.28 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.11 134.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 p -111.14 120.08 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 89.23 3.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.76 112.35 4.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 174.77 12.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 t -125.57 -60.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t 44.63 80.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.021 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.59 87.55 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.994 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -177.56 81.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.66 77.42 0.16 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 p -83.86 118.54 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.04 129.17 29.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 160.53 93.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 70' ' ' ILE . 18.9 mt -38.24 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -38.69 -61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -58.06 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.455 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 5.1 mtm -47.72 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 24.5 t -45.05 -43.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -69.48 -45.3 69.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -44.62 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' PHE . 24.1 m-85 -58.02 -52.65 64.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 52.4 m -44.02 -35.49 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -77.05 -70.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -42.31 -28.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 11.8 t80 -70.98 -51.4 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.62 78.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -49.6 -63.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.45 -31.92 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 94.7 mt -84.52 7.28 20.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.52 58.91 6.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -129.22 152.27 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.73 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -85.23 -53.41 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.68 166.4 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.26 158.82 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 41.5 mtmt -141.91 170.74 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.63 131.63 36.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.42 114.41 47.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.93 76.16 3.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.83 -24.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.45 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -51.8 -36.96 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.4 m-85 -77.01 -25.97 53.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -37.49 39.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.59 42.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.49 ' CD2' HD12 ' A' ' 85' ' ' LEU . 58.9 m-70 -147.27 64.61 8.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.96 -21.73 15.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -24.42 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.63 -60.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.07 118.08 36.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.6 p90 -159.45 -167.37 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 78' ' ' PHE . 11.7 t -131.0 154.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -125.98 164.45 20.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 29.5 71.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.77 164.02 44.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.96 140.11 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 53' ' ' ILE . 27.7 m-80 70.23 28.49 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 52' ' ' ASN . 3.9 mt -146.24 110.01 4.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 40.1 t80 -117.86 94.73 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.7 175.51 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.54 161.86 3.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -30.29 7.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -59.88 -15.35 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 72.7 m95 -94.18 -60.13 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.495 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 6.6 m-85 -37.59 137.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.21 -179.88 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.75 -48.5 63.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 26.8 mtt180 -55.9 -53.11 60.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.435 HD21 ' CG2' ' A' ' 12' ' ' VAL . 27.5 mt -44.63 -65.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.1 mt-10 -44.44 -57.91 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -40.98 -49.08 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.495 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 94.2 mt -63.45 -45.7 97.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.455 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 5.0 mt -56.93 -40.32 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.16 -36.85 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 m -103.77 10.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -73.17 -2.33 58.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.3 -11.54 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -114.2 -17.54 11.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mt -44.29 154.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -147.29 145.15 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 46' ' ' VAL . 9.1 m-85 -119.86 114.31 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.4 t -96.16 128.15 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -109.36 73.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -42.74 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -135.15 90.36 21.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.422 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -27.87 9.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.55 -44.17 17.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 40' ' ' HIS . 33.5 mt -48.11 -49.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.551 ' O ' ' CD2' ' A' ' 88' ' ' HIS . 11.4 mt -64.28 -41.12 97.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.4 m -60.95 126.26 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -167.02 173.93 8.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.7 p -175.15 159.52 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 91' ' ' THR . 77.0 p -141.68 88.33 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 91' ' ' THR . 6.2 t 32.54 54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -59.58 -51.78 68.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 93' ' ' VAL . 1.5 p 34.96 42.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.81 159.81 14.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.62 171.7 29.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 78.68 2.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.99 140.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.2 93.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -123.6 139.77 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.14 -55.84 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.1 79.33 0.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.52 152.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -56.41 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 50.45 59.85 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 70' ' ' ILE . 13.3 mt -37.68 -62.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -37.34 -61.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -58.18 7.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HE3' ' CD1' ' A' ' 70' ' ' ILE . 4.8 mtm -47.36 -62.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 19.5 t -48.97 -50.48 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.91 -45.81 51.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -69.66 -46.67 65.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.25 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -54.95 -49.66 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.9 m -47.77 -60.07 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -49.54 -70.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -41.16 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 24' ' ' LEU . 16.3 t80 -46.85 -42.49 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.14 -43.78 98.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.67 -54.7 25.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.7 67.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 20' ' ' PHE . 91.5 mt -85.14 -14.03 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.34 55.22 22.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.06 156.98 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m -86.02 -46.38 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.71 168.1 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.32 146.85 26.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -130.39 166.39 20.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.66 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG21 ' CG ' ' A' ' 20' ' ' PHE . 83.9 t -83.55 114.29 52.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.97 3.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -44.74 -25.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.66 -57.45 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -49.85 -37.58 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -74.49 -28.21 60.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.36 44.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.95 -11.66 52.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.552 ' CD2' HD13 ' A' ' 85' ' ' LEU . 79.9 m-70 -149.14 64.14 7.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.98 -16.86 20.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -80.73 -38.84 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.468 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 43.4 m-20 -92.26 -55.04 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' HIS . 90.2 mt -97.46 117.47 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 79' ' ' VAL . 9.2 p90 -166.08 -172.43 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 55' ' ' PHE . 18.6 t -127.69 153.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -127.5 170.17 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.54 29.68 75.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.98 164.19 42.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.99 139.92 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 69.35 29.01 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -145.18 110.41 4.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -167.75 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.7 t80 -114.01 92.56 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.71 174.77 9.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.76 165.07 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.96 -27.27 10.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -61.97 -25.83 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.1 m95 -83.3 -60.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CZ ' ' CD1' ' A' ' 69' ' ' ILE . 7.0 m-85 -37.59 134.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.71 -179.36 6.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.25 -48.46 68.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.06 -34.74 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 11.1 mtt-85 -55.22 -50.19 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 12' ' ' VAL . 27.0 mt -46.71 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ILE . 1.0 OUTLIER -46.05 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 6.4 mtpt -39.69 -52.77 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.533 ' CD1' ' CZ ' ' A' ' 61' ' ' TYR . 90.6 mt -59.91 -46.08 94.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HE3' ' A' ' 11' ' ' MET . 5.4 mt -55.75 -38.41 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.06 -34.89 75.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 35.4 m -104.63 9.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.36 -6.81 49.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -96.02 -11.1 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 6.6 ptp180 -111.6 -18.34 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mt -46.65 155.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.4 147.49 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.489 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 3.8 m-85 -121.88 118.82 29.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.466 HG11 ' CE1' ' A' ' 45' ' ' TYR . 96.8 t -103.64 115.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 mm -101.48 73.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 15.7 mttt -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB2' ' CD1' ' A' ' 85' ' ' LEU . 18.0 mtt180 -139.2 87.43 13.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.74 -40.72 29.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 40' ' ' HIS . 42.5 mt -45.58 -34.96 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.81 -45.58 57.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 90.7 m -53.6 109.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 -58.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.48 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.2 p 40.04 -140.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.6 t -131.72 163.02 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -153.22 169.96 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -73.1 128.8 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.56 103.39 13.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.64 -165.5 3.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -86.08 151.96 23.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.7 p -156.39 125.46 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.1 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -37.27 -56.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -60.58 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -57.29 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' CD2' ' A' ' 66' ' ' LEU . 39.6 t -51.75 -52.14 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -47.57 -51.41 21.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.76 -49.01 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.49 -62.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.52 -53.32 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -42.65 -51.17 5.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -60.33 -69.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -40.19 -57.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 17.6 t80 -46.5 -42.15 15.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -64.0 -51.5 63.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.07 -59.73 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -54.72 -41.69 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 mt -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.07 53.52 6.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 159.03 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.71 -44.32 9.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 157.52 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -141.06 171.12 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.74 126.23 36.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 20' ' ' PHE . 89.4 t -73.58 114.05 28.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.95 74.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -46.55 -24.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.14 -56.89 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.37 -39.08 56.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.13 -24.13 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -43.91 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.01 -12.24 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.1 m-70 -148.25 64.68 8.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -75.01 -22.46 14.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.63 -26.47 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -99.34 -58.24 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -99.25 117.28 33.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.1 p90 -158.08 -172.01 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 77' ' ' LYS . 5.6 t -129.0 155.09 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -128.87 164.0 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.1 29.86 70.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -85.36 164.07 42.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.0 34.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.24 145.15 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.79 29.56 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.89 112.36 5.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 35.0 t80 -116.69 94.76 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -134.79 -178.59 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.8 159.52 25.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -23.27 13.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -70.4 -6.32 34.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -103.89 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.51 139.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.43 174.82 22.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -63.29 -48.75 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.99 -32.22 5.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt180 -57.51 -52.79 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.716 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.9 mt -44.74 -68.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -42.18 -59.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.0 mtpt -39.98 -49.49 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' A' ' 61' ' ' TYR . 92.0 mt -62.07 -46.9 95.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 4.9 mt -55.6 -40.86 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.72 -39.52 81.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 29.5 m -99.66 9.83 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.59 -6.76 51.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -95.13 -11.35 28.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.5 ptp180 -113.05 -9.34 13.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -55.7 154.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 46' ' ' VAL . 50.5 tttt -147.36 147.87 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.7 m-85 -124.65 120.81 32.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 73.6 t -102.86 130.41 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -113.04 72.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.456 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.54 -39.8 68.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -141.96 93.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -25.95 11.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.8 -36.56 48.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.0 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -38.12 -60.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -57.38 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.9 mtm -48.8 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.5 t -46.79 -46.86 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.78 -63.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -51.88 -47.47 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 tp -42.93 -62.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 22.0 m-85 -57.65 -42.74 84.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.564 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 51.6 m -52.53 -51.58 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.09 -69.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -41.19 -48.82 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.9 t80 -54.62 -47.19 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -62.63 -46.49 88.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -42.83 -57.93 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.66 -39.46 73.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 76.8 mt -70.48 -18.58 62.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 78.31 51.06 5.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.539 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 9.2 t -125.42 164.89 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -95.02 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.05 168.06 19.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 17' ' ' CYS . . . -77.02 153.43 34.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -129.56 164.37 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.17 110.61 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.491 HG22 ' CG ' ' A' ' 20' ' ' PHE . 47.3 t -65.17 112.46 8.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.97 71.56 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -43.15 -26.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' GLU . 55.6 mt-30 -67.42 -58.83 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -50.0 -33.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -79.82 -25.54 40.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -81.04 -37.94 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.14 -10.8 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 46.9 m-70 -149.82 64.22 6.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.02 -21.71 15.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.01 -21.62 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 44.9 m-20 -105.12 -57.66 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -100.08 115.97 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -161.87 -170.73 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' A' ' 49' ' ' LEU . 7.1 t -126.51 156.71 37.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 164.67 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.32 29.77 71.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -84.77 164.1 43.64 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.44 38.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.92 139.66 55.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.98 28.92 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -145.41 110.55 4.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 37.4 t80 -119.81 96.59 5.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -136.26 -175.42 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.64 159.87 64.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -22.78 14.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.7 p -69.8 -7.06 36.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -103.39 -56.32 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.9 m-85 -39.35 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.96 176.53 21.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -63.82 -48.5 79.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -33.06 4.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 23.7 mtt180 -56.82 -52.96 63.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.5 mt -45.15 -70.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -39.29 -59.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -40.45 -52.35 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' TYR . 86.4 mt -59.15 -46.9 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HD23 ' A' ' 8' ' ' LEU . 4.5 mt -55.52 -40.48 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.56 -31.51 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.48 10.36 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.82 -3.54 55.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -95.98 -10.75 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -19.94 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 6.9 mt -43.44 154.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.64 145.14 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -120.25 112.82 19.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 85.8 t -97.76 125.11 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.523 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.37 72.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.1 mmpt? -52.1 -46.75 65.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB2' HD12 ' A' ' 85' ' ' LEU . 67.1 mtt-85 -135.55 92.01 17.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.97 -32.0 5.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -43.58 -49.16 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.5 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.3 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -37.85 -59.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -57.85 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.0 mtm -48.92 -60.89 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 66' ' ' LEU . 54.4 t -48.39 -48.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.79 -45.63 63.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -69.12 -47.4 65.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.04 -62.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.42 -43.3 83.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.37 -51.46 58.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -60.67 -69.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -41.15 -55.74 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.826 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.6 t80 -50.04 -42.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.08 -45.02 87.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -46.6 -54.66 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.39 -30.07 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.826 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.3 mt -81.53 -12.38 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.74 54.99 31.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.15 159.91 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -90.05 -46.02 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.39 154.52 21.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.68 157.67 31.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -140.6 171.82 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.6 123.46 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.69 HG22 ' CD2' ' A' ' 20' ' ' PHE . 47.2 t -70.05 113.62 19.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.02 77.38 3.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -50.4 -21.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -67.38 -57.81 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 19.7 mmtm -54.56 -36.3 64.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.93 -22.49 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -44.11 14.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.72 -11.58 59.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 15.6 m-70 -147.21 64.98 9.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -18.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.61 -37.17 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -93.22 -57.64 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 47.6 mt -96.28 120.51 36.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.7 p90 -167.85 -170.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 49' ' ' LEU . 18.8 t -128.69 153.21 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 165.63 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 30.19 73.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.61 164.19 41.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.98 42.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.03 139.47 41.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.52 29.22 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.69 112.29 4.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -163.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 25.4 t80 -121.39 96.0 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 -179.72 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.22 159.44 22.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -23.02 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -68.91 -7.92 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -102.73 -56.89 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.09 138.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.53 -179.88 11.26 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -66.58 -49.05 53.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -31.79 5.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.4 mtt-85 -57.9 -52.59 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -45.73 -65.88 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -44.61 -57.27 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 34.7 mtpt -39.61 -51.94 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 71.4 mt -60.89 -47.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.08 -40.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -57.96 -40.74 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.74 19.0 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -79.24 5.24 60.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.98 -15.71 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -108.66 -13.3 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -46.87 155.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 147.12 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.1 m-85 -122.56 119.0 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 97.7 t -101.91 121.87 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -106.93 74.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 11.6 mttt -64.39 -22.36 66.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.3 mtp180 -156.63 89.86 2.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.582 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.04 -31.54 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.47 -43.18 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 17.7 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 70' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 27.3 mtm-85 -36.46 -58.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -61.8 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 36.3 mtp -47.46 -57.05 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG21 ' CD2' ' A' ' 66' ' ' LEU . 68.1 t -52.1 -53.23 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.49 -46.69 38.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.77 -46.48 71.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -44.4 -62.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.0 m-85 -57.51 -53.31 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.2 m -43.92 -40.86 4.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -71.02 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -41.04 -33.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.0 t80 -65.55 -52.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -55.9 -42.04 75.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.08 -62.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.7 -35.41 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 93.9 mt -80.2 2.14 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 52.6 60.06 8.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.637 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 5.2 t -128.54 159.57 35.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -91.58 -50.39 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -80.57 166.79 20.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 156.88 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -135.52 169.13 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.27 121.43 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 20' ' ' PHE . 99.4 t -71.51 113.75 22.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.0 72.5 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -42.95 -26.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 8.9 mm100 -68.94 -50.81 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.8 m-85 -75.81 -26.77 57.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -40.15 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.96 -15.44 51.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CD2' HD13 ' A' ' 85' ' ' LEU . 52.0 m-70 -145.79 65.41 11.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.62 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.07 14.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.7 -20.67 35.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -101.47 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 82' ' ' ARG . 17.8 mt -101.35 117.72 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.8 p90 -159.99 -171.25 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 77' ' ' LYS . 4.7 t -128.87 153.99 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.4 166.47 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.34 29.82 71.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.89 164.13 40.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.69 42.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.553 1.818 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.52 144.55 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 64.15 28.8 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.51 108.63 4.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.755 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 43.4 t80 -117.95 93.78 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -128.92 -172.52 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.79 157.78 89.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -10.15 21.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -7.85 59.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -103.47 -50.09 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -44.15 137.37 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.81 -179.98 9.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -48.87 58.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.87 5.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.8 mtt-85 -56.68 -51.47 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.696 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.4 mt -46.55 -66.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -43.96 -56.89 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 13.1 mtpt -40.03 -54.72 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 61' ' ' TYR . 95.8 mt -59.8 -45.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.674 HD12 ' CD2' ' A' ' 8' ' ' LEU . 7.4 mt -56.36 -39.62 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.0 -34.06 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.36 11.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.91 -3.36 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -10.48 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.7 -15.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -47.78 154.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 46' ' ' VAL . 37.3 ttpt -147.47 147.46 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.15 114.43 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.636 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.5 t -97.66 125.03 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.2 mm -107.76 73.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -56.7 -43.44 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.8 mtt180 -135.06 90.03 22.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -48.23 -44.78 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.7 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -38.2 -59.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtm -49.51 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 ' CD2' ' A' ' 66' ' ' LEU . 17.7 t -44.51 -45.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -50.06 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -65.17 -44.46 88.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.77 -64.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.1 m-85 -57.23 -42.84 82.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 m -49.4 -52.21 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 108.356 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.2 tttt -61.46 -67.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -40.26 -57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 27.6 t80 -48.78 -41.34 32.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.74 -42.97 90.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -48.79 -59.6 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.585 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.29 -38.42 68.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 79.7 mt -71.46 -20.66 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.21 52.32 8.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.23 162.24 21.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -91.53 -47.73 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.5 167.7 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.37 149.06 25.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -128.81 168.6 15.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.47 119.28 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 20' ' ' PHE . 91.3 t -66.72 114.18 16.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 69.98 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -46.34 -24.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -52.61 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 29.4 mmtm -55.8 -38.66 70.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.6 m-85 -71.73 -26.32 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.8 -44.02 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.71 -15.08 58.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.9 66.06 12.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.96 13.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.92 -28.27 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 27.7 m-20 -96.74 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.75 119.1 36.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -157.91 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 55' ' ' PHE . 26.3 t -129.4 153.23 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -127.26 167.48 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.24 29.72 73.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.28 163.85 38.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 151.64 40.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.02 142.26 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 t30 67.97 29.21 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.94 112.69 4.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 39.4 t80 -114.59 94.04 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.55 -175.72 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 160.84 53.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.98 -21.53 15.8 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -70.86 -6.24 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -103.9 -57.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.627 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.63 136.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.71 -179.77 9.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -66.21 -48.66 58.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -32.9 4.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.1 mtt180 -56.97 -52.88 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.616 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -45.19 -64.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.9 mt-10 -45.92 -58.93 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 8.0 mttp -39.99 -49.68 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.9 mt -62.49 -47.36 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 8' ' ' LEU . 4.7 mt -55.19 -40.06 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.14 -39.82 79.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 27.9 m -100.95 10.36 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.43 -7.51 52.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -95.24 -11.36 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -111.97 -11.65 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -53.55 154.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.48 147.36 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 6.9 m-85 -122.57 119.84 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 89.3 t -103.68 123.68 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.585 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.0 mm -105.8 72.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.3 mmpt? -55.31 -42.78 74.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -138.61 91.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 -27.5 9.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -49.37 -40.12 34.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.418 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 27.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.3 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.8 mtm-85 -38.01 -60.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -54.61 29.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 mtm -53.23 -61.41 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.5 t -48.27 -45.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -45.61 76.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.74 -44.95 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -46.36 -64.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 19.2 m-85 -53.44 -47.0 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -46.22 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.16 -69.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -39.99 -60.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 1.089 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.9 t80 -47.5 -43.25 24.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.14 -44.24 97.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -47.91 -55.76 9.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -59.28 -37.63 78.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.089 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.9 mt -74.34 -13.25 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 62.34 58.47 12.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 153.66 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -81.41 -46.28 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -89.53 163.45 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.96 154.74 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -134.18 168.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.58 118.01 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 20' ' ' PHE . 70.4 t -64.25 112.97 8.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.94 72.57 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -46.59 -24.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.68 -54.59 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 24.1 mmtm -55.51 -32.64 63.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 5.7 m-85 -78.25 -25.02 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -41.22 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.47 -17.85 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 45.4 m-70 -144.34 64.8 12.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -20.16 17.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.42 -22.98 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 72.7 m-20 -102.42 -53.7 2.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.4 115.96 31.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.8 p90 -159.51 -170.39 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 6.3 t -126.36 156.39 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.34 164.49 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.44 29.75 71.54 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -86.1 164.03 40.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.38 140.64 50.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 69.5 29.38 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.66 110.8 4.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.8 t80 -115.88 94.19 4.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -132.12 -174.21 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 158.05 73.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -10.68 21.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 p -81.69 -6.55 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -104.17 -52.01 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -41.42 137.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.11 176.58 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.35 -48.52 75.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -74.96 -30.85 6.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 25.1 mtt180 -58.99 -54.13 50.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.4 mt -43.84 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -38.95 -59.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 5.8 mtpm? -39.68 -52.01 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 61' ' ' TYR . 88.8 mt -59.82 -46.78 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.8 -41.89 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -57.04 -40.72 77.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.8 m -104.34 18.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -80.33 6.38 60.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -100.28 -14.71 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -110.63 -15.63 13.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -43.64 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.3 tttt -147.75 148.65 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.0 m-85 -123.96 115.94 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.3 t -99.71 125.78 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.544 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -107.85 72.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.586 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.4 mmpt? -52.91 -46.51 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB2' HD12 ' A' ' 85' ' ' LEU . 27.5 mtt85 -135.46 91.6 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -28.99 8.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -46.6 -46.4 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 82' ' ' ARG . 8.2 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.082 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.0 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -38.12 -55.79 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -60.55 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -47.35 -58.39 4.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 66' ' ' LEU . 37.9 t -49.56 -51.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -55.37 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.39 -43.7 96.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.75 -65.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.9 m-85 -54.43 -43.6 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -52.6 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -48.53 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -41.5 -58.06 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.4 t80 -48.01 -42.32 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.53 -42.39 99.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.17 -51.16 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -64.81 -25.8 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.0 mt -87.13 -9.93 54.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 60.24 55.12 31.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.54 154.92 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.4 p -82.34 -48.67 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.57 166.9 14.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.07 158.48 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.16 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.28 133.39 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.2 t -79.56 114.4 45.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.23 2.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 27.3 m-85 -47.6 -23.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -67.71 -61.07 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -47.41 -37.76 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.672 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.2 m-85 -74.22 -31.42 62.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -75.74 -40.54 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.42 -16.39 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CD2' HD13 ' A' ' 85' ' ' LEU . 60.3 m-70 -145.31 64.01 10.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -16.69 20.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -40.03 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -91.51 -55.43 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 79.4 mt -96.5 118.27 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.5 p90 -167.09 -175.5 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 t -124.16 154.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -127.61 168.32 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.71 74.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -84.91 164.16 43.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.0 42.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.53 139.14 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 69.47 28.83 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.39 109.54 4.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.88 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.9 t80 -112.14 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -125.4 -174.02 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -72.66 162.45 74.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -24.62 12.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -70.69 -6.13 34.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -104.06 -57.59 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.9 m-85 -38.76 138.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.54 179.16 12.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -65.16 -48.49 69.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -34.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.8 mtt180 -55.26 -51.93 65.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.0 mt -46.11 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -39.51 -59.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 3.6 mttp -39.65 -52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 66.1 mt -59.66 -48.01 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 8' ' ' LEU . 3.5 mt -55.07 -41.66 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.71 -38.78 75.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.52 12.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -72.74 -2.52 56.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -98.22 -10.82 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -112.26 -13.71 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 mt -50.18 155.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.57 147.44 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.6 m-85 -121.92 116.66 24.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 81' ' ' LYS . 97.0 t -100.45 118.98 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -104.6 73.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.0 mttt -62.11 -33.44 74.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.674 ' HB2' HD12 ' A' ' 85' ' ' LEU . 68.2 mtt180 -142.96 89.27 7.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.5 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -36.64 2.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.18 -41.56 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 82' ' ' ARG . 38.7 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.775 ' CD2' HD12 ' A' ' 70' ' ' ILE . 17.4 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' LEU . 41.1 mtm180 -37.3 -53.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.9 mtp -42.69 -57.85 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 66' ' ' LEU . 48.8 t -50.84 -54.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -46.22 -52.09 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -62.68 -47.43 83.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tp -42.43 -62.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.9 m-85 -58.62 -42.18 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.2 m -50.77 -53.03 35.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -61.12 -68.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -40.4 -57.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.2 t80 -48.53 -42.82 34.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -63.83 -48.67 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -41.38 -58.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.98 -34.89 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.726 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 84.1 mt -74.77 -20.48 59.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.1 49.49 21.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.76 163.54 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -92.08 -49.04 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.93 167.88 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.59 152.06 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -132.29 166.67 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.4 119.43 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 20' ' ' PHE . 78.1 t -65.66 114.26 15.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.98 70.44 5.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -40.75 -28.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -65.08 -55.25 19.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -49.86 -37.57 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.2 m-85 -75.76 -22.47 56.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -80.15 -44.7 19.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -7.24 59.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -153.0 64.82 5.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 -21.08 16.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.87 -31.36 31.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 8.4 m-20 -90.48 -59.39 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.01 115.86 29.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -154.43 -171.17 3.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 7.5 t -130.15 155.38 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.91 164.6 21.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.41 30.39 71.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -85.94 163.95 41.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.93 43.05 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.55 138.96 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t30 69.88 29.41 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -145.24 112.76 4.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 30.7 t80 -119.15 96.22 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -139.1 171.24 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 160.17 0.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.02 -27.56 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -13.11 27.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.9 m95 -96.42 -58.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 108.025 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.618 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.9 m-85 -37.45 137.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.58 -179.86 11.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -66.24 -48.47 58.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 18.7 mtt180 -57.34 -53.05 62.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 12' ' ' VAL . 30.7 mt -43.89 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -41.11 -57.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.2 mtpt -39.83 -55.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 61' ' ' TYR . 96.4 mt -60.05 -41.7 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.775 HD12 ' CD2' ' A' ' 8' ' ' LEU . 11.7 mt -60.6 -38.16 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -63.03 -28.09 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.56 11.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.71 -4.02 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.49 -11.67 27.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -112.75 -13.86 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.486 HD11 HG23 ' A' ' 69' ' ' ILE . 7.0 mt -52.18 155.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 12.0 ttpt -147.38 149.12 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -123.57 118.75 28.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.1 t -102.81 125.77 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.563 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -106.25 73.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.5 mmpt? -54.05 -46.04 71.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.4 mtt180 -134.79 90.88 21.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.08 -32.43 5.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -43.43 -46.79 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 82' ' ' ARG . 12.4 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -38.03 -58.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -60.43 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -63.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' A' ' 66' ' ' LEU . 31.1 t -46.25 -47.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -53.66 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -44.89 96.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.1 -62.89 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 32' ' ' VAL . 27.8 m-85 -59.36 -53.04 62.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.7 m -42.87 -33.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -79.97 -69.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -41.95 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.5 t80 -67.62 -56.79 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.7 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.32 -59.86 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -60.03 -32.0 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.8 mt -82.7 3.38 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.36 57.85 7.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 164.88 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -90.87 -49.46 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.21 167.87 12.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.65 162.94 23.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -141.3 169.12 18.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.68 122.05 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 16' ' ' PHE . 57.6 t -67.94 113.22 13.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 75.01 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -45.8 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.73 -59.8 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -49.46 -36.81 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.3 m-85 -75.86 -25.82 56.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -80.41 -40.84 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.6 -13.97 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -146.19 65.8 10.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.29 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.26 -30.89 30.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 39.9 m-20 -89.54 -61.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 121.36 41.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.4 p90 -160.78 -173.08 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.3 t -125.87 153.31 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 167.03 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.9 29.77 75.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -85.01 163.98 43.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.64 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.11 140.23 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 53' ' ' ILE . 1.8 t-20 69.96 28.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.3 mt -146.09 110.49 4.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.4 t80 -118.41 95.12 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.01 175.97 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.21 159.3 11.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -22.04 15.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -6.91 36.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -104.03 -55.19 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 5.2 m-85 -40.14 138.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.3 -179.81 10.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.555 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.54 -49.25 52.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.41 5.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 9.0 mtt180 -57.16 -52.53 64.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.647 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.7 mt -45.45 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.4 mt-10 -47.1 -55.8 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.2 mtpp -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 90.6 mt -62.45 -45.14 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.4 mt -56.91 -39.25 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -60.25 -37.27 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.9 m -106.65 16.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.24 3.78 61.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -100.01 -12.2 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -114.92 -8.11 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.456 HD11 HG23 ' A' ' 69' ' ' ILE . 6.8 mt -51.31 155.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.4 tttt -147.77 149.76 32.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.81 114.64 19.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 81' ' ' LYS . 92.1 t -94.8 126.89 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.498 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -108.95 72.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.3 mmpt? -56.44 -43.18 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt85 -134.65 90.06 24.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.05 -34.42 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.26 -44.24 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.3 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.4 mtm180 -37.36 -56.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -55.53 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.04 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 66' ' ' LEU . 20.7 t -50.05 -47.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -53.05 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -45.21 -62.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.1 m-85 -56.33 -45.97 80.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -49.46 -58.93 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -52.03 -70.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -40.52 -57.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 1.114 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.1 t80 -46.57 -42.03 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -62.2 -49.63 75.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -42.26 -57.08 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.61 -41.61 86.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.114 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.4 mt -69.99 -10.6 59.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.53 56.3 23.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.47 162.95 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -94.73 -42.31 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.43 162.65 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.67 137.39 32.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -119.62 169.75 9.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 121.31 31.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 20' ' ' PHE . 58.5 t -67.13 113.8 15.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.07 75.32 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 35.5 m-85 -47.03 -23.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.0 -55.26 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -52.39 -34.7 49.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.1 m-85 -80.13 -23.82 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -37.49 31.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.07 -15.78 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -143.75 64.67 13.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 -23.45 13.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -77.91 -24.42 48.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -100.36 -57.53 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 mt -100.63 116.06 31.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -154.76 -173.84 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.6 t -130.94 138.23 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -110.64 168.69 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.28 29.69 73.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.39 164.0 37.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.43 42.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.85 139.96 41.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 70.03 29.15 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.95 112.7 4.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.35 2.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.2 t80 -109.7 90.92 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -130.75 -175.12 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.531 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.08 162.33 47.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -22.5 14.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -6.56 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.12 -52.8 2.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -43.11 138.24 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.85 -179.79 11.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -49.19 56.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -32.16 5.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 32.0 mtt180 -57.53 -50.32 73.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.687 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.2 mt -47.15 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.467 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.96 -58.01 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.6 mttt -39.79 -51.15 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.0 mt -61.44 -46.59 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 5.2 mt -56.36 -40.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.05 -35.6 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 m -107.67 13.37 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.38 -6.01 52.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -94.57 -16.08 23.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -107.09 -9.52 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.501 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -54.81 154.5 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 tttp -147.49 148.69 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 10.0 m-85 -125.12 119.06 27.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.625 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -103.04 127.96 56.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.617 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -110.32 72.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -54.86 -40.16 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -138.33 89.45 14.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 -29.58 8.0 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -49.26 -42.64 41.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -38.7 -60.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -51.71 -58.41 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -49.47 -60.25 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.603 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.3 t -49.91 -49.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.51 -45.25 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.55 -44.99 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD21 HD12 ' A' ' 76' ' ' ILE . 3.1 tp -44.7 -63.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -55.01 -43.09 73.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.82 -61.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -48.48 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -41.28 -59.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 12.7 t80 -46.1 -41.71 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.86 -45.23 94.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.07 -58.93 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.28 -28.82 63.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.91 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 86.8 mt -80.82 -18.76 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 68.65 47.78 54.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.96 159.75 19.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -87.43 -46.82 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.69 167.35 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.88 156.81 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -140.66 167.1 22.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.35 137.6 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG22 ' CD2' ' A' ' 20' ' ' PHE . 99.7 t -85.09 114.07 53.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 72.55 4.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -46.81 -23.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -51.96 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.6 m-85 -78.79 -22.27 46.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.56 -42.54 18.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.11 -13.24 56.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 39.4 m-70 -145.24 64.32 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 -17.02 19.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.4 -32.69 32.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.07 -59.11 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.19 118.89 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -160.51 -168.36 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.1 t -131.78 155.77 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -128.68 164.25 23.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.11 29.77 72.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.26 163.97 45.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.05 42.21 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.56 138.85 47.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 69.97 28.61 4.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mt -145.69 109.4 4.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.87 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.0 t80 -116.23 92.13 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -130.11 179.51 5.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.64 161.71 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.99 -29.23 8.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 p -66.4 -10.27 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -98.3 -52.23 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 107.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -44.8 139.96 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.67 -179.78 11.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.75 -49.27 50.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.35 5.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -57.17 -51.26 70.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.603 ' CD2' HG21 ' A' ' 12' ' ' VAL . 34.4 mt -46.6 -67.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -41.67 -59.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.5 mtpt -40.48 -52.86 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 61' ' ' TYR . 80.8 mt -58.68 -47.19 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 HD23 ' A' ' 8' ' ' LEU . 3.4 mt -56.37 -40.94 69.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.07 -32.88 70.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.31 11.22 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.28 -6.34 61.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -9.13 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -114.75 -13.75 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.404 HD12 HD21 ' A' ' 15' ' ' LEU . 7.5 mt -50.84 155.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' HD3' HG23 ' A' ' 79' ' ' VAL . 3.6 tmtt? -147.57 142.94 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.8 m-85 -119.2 118.87 32.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 79.7 t -102.85 129.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.58 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.3 mm -111.66 75.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -33.86 73.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.6 mtp180 -145.32 91.43 5.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.95 -31.17 6.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -46.88 -43.98 19.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' ' 82' ' ' ARG . 13.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 70' ' ' ILE . 15.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.5 mtt180 -36.82 -60.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -50.53 -56.86 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.9 mtm -51.75 -67.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.4 t -41.84 -42.43 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -50.09 74.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' MET . 13.2 mm-40 -65.15 -44.86 87.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -44.32 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.4 m-85 -56.89 -43.73 81.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.68 -49.54 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 4.4 ttpt -62.71 -67.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -42.48 -57.14 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.756 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 19.4 t80 -47.22 -40.23 15.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -67.08 -46.66 73.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -44.48 -58.33 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.5 -39.15 75.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.4 mt -70.96 -15.72 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.77 52.19 40.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.15 160.11 25.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -88.59 -45.7 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.66 167.42 16.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.51 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -138.43 169.6 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.22 122.15 32.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 ' CG ' ' A' ' 20' ' ' PHE . 59.1 t -69.0 113.56 17.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.95 4.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -43.19 -29.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -60.65 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -51.12 -44.38 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.0 m-85 -66.45 -24.27 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -41.37 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.98 -10.85 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.7 m-70 -144.18 64.1 12.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 -21.3 16.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -81.67 -28.6 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -97.55 -62.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.1 115.83 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 4.2 p90 -156.84 -171.58 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 77' ' ' LYS . 53.2 t -129.09 151.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HG2' ' CE2' ' A' ' 45' ' ' TYR . 52.0 mm-40 -123.97 162.26 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.42 29.72 71.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.29 164.15 47.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.51 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.6 138.85 57.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.53 29.25 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.85 111.13 4.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.6 t80 -115.28 92.9 4.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 178.18 6.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.59 160.12 20.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.01 -21.16 16.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -71.54 -6.35 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 63.9 m95 -104.32 -57.56 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.5 m-85 -37.83 134.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -63.83 179.8 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.49 -48.93 65.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.67 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mtt-85 -56.3 -51.72 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.609 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.1 mt -47.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.6 mtpt -39.39 -54.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 ' CE1' ' A' ' 61' ' ' TYR . 82.2 mt -59.56 -46.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.61 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.44 -40.82 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.57 -39.66 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 32.7 m -99.14 8.54 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -67.21 -8.22 49.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -93.81 -12.52 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 6.0 ptm180 -112.53 -8.36 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.486 HD12 HD21 ' A' ' 15' ' ' LEU . 5.6 mt -55.25 154.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -147.43 141.29 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.4 m-85 -119.5 118.71 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 71.3 t -101.61 132.23 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm -113.32 74.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.95 -43.6 86.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB2' HD12 ' A' ' 85' ' ' LEU . 26.5 mtt180 -136.27 90.47 17.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.01 -35.26 3.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.0 -36.58 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 82' ' ' ARG . 48.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 70' ' ' ILE . 15.0 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 74.9 mtm180 -36.97 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -57.23 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtm -49.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 66' ' ' LEU . 38.2 t -48.22 -48.84 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.11 -40.97 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -74.73 -43.4 55.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.05 -62.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 26.7 m-85 -57.42 -50.57 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.0 m -44.24 -37.24 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -76.24 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.7 mmtt -43.5 -27.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 8.9 t80 -71.42 -56.34 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -53.94 -40.75 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.07 -62.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.36 -33.12 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 87.4 mt -84.23 5.48 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 49.7 58.87 7.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.612 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 1.1 t -129.33 142.86 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -78.46 -50.43 11.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.57 158.84 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.57 157.67 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -142.17 169.28 17.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.56 34.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.4 t -79.39 114.32 44.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 76.16 3.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -46.61 -23.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.32 -60.07 3.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -49.31 -38.86 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.1 m-85 -74.43 -24.87 59.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -39.57 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.4 57.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -149.78 65.62 7.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.622 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.93 -31.15 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.4 m-20 -92.3 -60.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.85 122.82 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.9 p90 -162.05 -175.36 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.3 t -127.87 145.16 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.29 171.01 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.53 29.73 71.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -87.61 164.04 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.54 42.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.53 138.6 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 70.08 28.99 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.25 110.12 4.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 45.5 t80 -119.6 96.23 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.01 170.66 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.86 158.15 1.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -25.53 11.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -67.59 -9.26 41.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.83 -55.86 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 108.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.2 m-85 -39.24 139.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.07 -179.9 12.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.52 -48.98 54.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt85 -57.13 -49.37 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.6 mt -47.82 -69.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -42.37 -58.14 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' GLU . 33.5 mtpt -39.18 -50.04 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 79.9 mt -62.45 -46.32 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.564 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.6 -39.64 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -60.65 -31.46 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 m -111.09 14.61 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -76.74 2.14 60.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.31 -9.89 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -115.01 -15.46 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -46.59 156.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -147.64 148.58 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -122.96 111.92 17.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -94.96 125.07 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.508 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -108.13 72.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.611 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.9 mmpt? -54.38 -45.17 72.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -136.25 91.98 16.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.95 -30.48 7.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -43.83 -46.95 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.577 HD23 HD12 ' A' ' 70' ' ' ILE . 13.1 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -37.95 -61.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -59.18 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.0 mtm -48.51 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.0 t -43.84 -47.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -51.16 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -64.14 -43.6 94.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.1 -62.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.1 m-85 -58.67 -41.18 85.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -53.19 -52.38 59.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -61.03 -69.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -40.83 -55.26 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.3 t80 -49.81 -45.48 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.89 -49.65 75.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -40.34 -58.06 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.04 -37.54 71.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 81.0 mt -72.88 -17.5 61.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.24 52.58 21.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.75 164.38 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -91.56 -49.74 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.54 167.57 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.31 154.94 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -135.34 169.27 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.55 124.13 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 20' ' ' PHE . 55.4 t -72.13 114.3 28.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.98 80.37 2.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -49.87 -21.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.17 -50.71 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -56.94 -28.13 61.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.0 m-85 -86.36 -25.94 25.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -35.39 38.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.77 45.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -151.93 65.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.36 15.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.74 -22.62 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 30.6 m-20 -99.42 -59.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.93 118.12 36.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.1 p90 -158.07 -174.87 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 77' ' ' LYS . 54.1 t -129.17 139.61 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -113.01 169.52 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.58 29.56 72.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.15 163.87 35.5 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.542 0.79 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.78 41.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.85 139.92 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.16 29.1 3.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.82 110.58 4.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.99 2.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 21.5 t80 -108.52 90.22 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.75 174.56 9.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 162.46 5.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -22.26 14.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -7.36 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -103.73 -53.53 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.62 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.0 m-85 -42.87 135.7 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.28 -179.73 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.0 -48.7 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -33.0 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.2 mtt180 -56.96 -53.71 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.615 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.3 mt -43.89 -64.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.3 mt-10 -47.11 -58.28 4.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mtpm? -39.74 -49.69 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 61' ' ' TYR . 81.5 mt -63.66 -46.73 93.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.577 HD12 HD23 ' A' ' 8' ' ' LEU . 4.1 mt -55.63 -39.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.63 -40.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.41 15.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -74.61 -0.22 58.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.5 -14.27 20.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.39 -8.53 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.7 mt -55.47 155.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 13.8 ttpt -147.64 150.56 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 5.8 m-85 -126.31 111.03 14.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.617 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.0 t -95.3 124.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.54 71.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.617 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.8 mmpt? -53.21 -44.21 67.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt180 -136.74 91.84 15.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 -31.13 6.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -48.36 -40.84 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 82' ' ' ARG . 52.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.7 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -42.47 -46.79 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -59.3 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.0 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 66' ' ' LEU . 16.5 t -48.78 -40.79 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -67.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -47.02 -43.21 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -46.45 -64.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.0 m-85 -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.12 -49.09 69.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -63.98 -66.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -43.11 -48.35 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 28.3 t80 -56.39 -43.1 78.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -65.29 -42.02 93.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.91 -57.98 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.52 -40.85 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 83.2 mt -69.9 -15.82 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.78 58.29 4.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.601 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 16.5 t -130.85 157.05 43.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -88.09 -54.57 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 167.48 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.66 154.5 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -134.41 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.17 123.3 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG22 ' CG ' ' A' ' 20' ' ' PHE . 80.7 t -77.42 115.09 46.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 73.77 4.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -47.04 -25.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.0 -51.53 31.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.95 -30.1 45.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.2 m-85 -81.45 -26.68 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -40.54 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.62 -13.29 56.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 75.2 m-70 -151.84 64.23 5.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 -27.02 10.43 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -73.22 -19.45 61.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -104.86 -55.84 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.94 115.91 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.0 p90 -154.96 -170.57 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 77' ' ' LYS . 80.9 t -133.16 140.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.36 167.49 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 29.77 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.94 164.17 45.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.04 30.92 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.09 140.43 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.71 28.93 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.59 110.8 4.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.6 t80 -117.31 92.2 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -127.04 -171.21 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.85 160.92 80.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -19.24 18.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.9 m -75.22 -7.35 53.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.32 -52.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -41.75 136.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.38 -179.75 6.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -65.99 -49.37 57.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 8.3 mtt180 -56.71 -50.8 71.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -47.17 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -43.87 -57.0 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.1 mttp -39.24 -54.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 61' ' ' TYR . 84.9 mt -58.42 -46.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.8 mt -56.66 -41.46 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.06 -36.88 71.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 m -107.2 15.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.09 0.13 59.51 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.97 -14.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 3.7 ptm85 -111.91 -9.37 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.445 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -50.56 155.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.628 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.46 147.59 30.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.0 m-85 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.619 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.8 t -97.15 128.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.539 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -109.59 72.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -53.2 -45.19 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -136.11 91.44 17.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.98 -21.13 16.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.09 -39.96 72.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 65.3 mtm180 -36.99 -62.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -53.9 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -58.42 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD2' ' A' ' 66' ' ' LEU . 23.7 t -55.15 -42.46 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.07 -41.76 79.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -73.35 -47.41 42.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.07 -62.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.2 m-85 -57.48 -48.38 79.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.1 m -47.12 -39.76 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 108.288 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -72.58 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -44.28 -33.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 10.5 t80 -66.42 -55.16 17.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.84 -42.68 72.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.77 -63.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.32 -33.27 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 82.5 mt -84.63 7.55 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 60.1 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.781 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 6.1 t -126.0 152.85 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 m -85.46 -52.01 6.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 166.6 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.94 155.77 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.41 170.18 16.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.26 136.39 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.4 HG22 ' CG ' ' A' ' 20' ' ' PHE . 86.5 t -84.44 114.1 52.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.02 74.39 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -45.43 -24.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -52.89 37.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 85' ' ' LEU . 60.7 mmtt -55.17 -36.17 65.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.6 m-85 -77.76 -24.93 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -39.46 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.66 -9.81 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 68.1 m-70 -152.28 64.8 5.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.01 -20.4 16.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.7 -29.56 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 28.6 m-20 -94.62 -60.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.83 118.26 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -157.83 -173.82 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 55' ' ' PHE . 75.4 t -130.37 139.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -111.91 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.2 29.66 73.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.45 164.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.48 36.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.17 141.92 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 29.27 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -144.96 110.61 4.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.597 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 44.7 t80 -120.13 94.76 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -132.5 -176.65 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 157.94 58.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.95 -21.6 15.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.7 p -72.19 -7.2 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -103.47 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.1 m-85 -40.29 140.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.39 176.72 22.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.62 -48.8 73.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.2 mtt180 -58.74 -52.11 67.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 37.8 mt -45.49 -69.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -42.41 -56.91 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.7 mttp -39.08 -55.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 73' ' ' GLY . 83.6 mt -57.55 -45.39 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.4 mt -57.75 -41.48 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -60.47 -26.88 67.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.88 16.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.93 4.92 59.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -100.1 -13.29 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -112.62 -13.83 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 69' ' ' ILE . 7.6 mt -46.29 155.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.6 tmmm? -147.62 143.41 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.41 112.57 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.4 t -95.05 126.17 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.4 mm -107.83 71.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.606 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.2 mmpt? -52.21 -45.11 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.9 mtt180 -140.62 94.74 8.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 -27.21 10.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -46.58 -48.02 19.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.3 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 70' ' ' ILE . 12.5 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -37.6 -62.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -55.74 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.6 mtm -52.17 -62.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.0 t -48.27 -44.96 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.46 -42.17 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -73.65 -45.8 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -42.29 -63.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.8 m-85 -56.38 -47.68 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 34.7 m -46.86 -57.97 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 tptt -53.08 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 41.3 mmtt -39.86 -55.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 32' ' ' VAL . 15.2 t80 -47.73 -50.17 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.69 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -45.57 -59.97 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.07 -29.63 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 98.7 mt -85.2 5.3 30.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.3 56.45 7.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.87 164.22 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.62 -49.17 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -90.82 167.92 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.79 159.47 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 18.8 mtpt -141.4 169.03 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.43 140.73 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 20' ' ' PHE . 90.1 t -88.91 113.63 56.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -41.66 -27.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -65.94 -56.14 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -49.58 -38.14 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.26 -29.71 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.42 -37.06 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.51 -12.81 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 88.8 m-70 -149.76 64.34 6.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.536 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -21.94 15.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -79.07 -28.62 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 68.8 m-20 -97.06 -56.75 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -99.78 119.72 38.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -162.91 -174.43 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG2' ' CE2' ' A' ' 78' ' ' PHE . 10.2 t -126.13 154.38 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.66 168.41 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 29.87 75.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -86.08 163.97 40.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.61 41.22 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.22 142.7 50.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 66.84 29.13 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.12 110.19 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.2 t80 -118.17 95.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -133.53 -175.71 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 160.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 -24.3 12.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -68.08 -8.6 39.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 23.3 m95 -101.7 -58.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.64 137.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.31 -179.9 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.05 -49.04 58.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.3 mtt180 -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.577 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.1 mt -46.6 -63.13 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.4 mt-10 -48.03 -57.53 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mttt -39.71 -48.68 2.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 61' ' ' TYR . 79.7 mt -64.45 -46.54 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.91 -39.17 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.76 -37.05 80.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 m -104.54 14.07 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.08 -0.23 60.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -98.65 -9.67 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -115.42 -13.21 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -49.4 155.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -147.77 147.13 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CE2' ' CG2' ' A' ' 46' ' ' VAL . 7.8 m-85 -123.87 115.07 20.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.592 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.4 t -97.09 126.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -108.35 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.592 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -52.72 -45.83 67.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.6 mtt180 -136.38 92.49 15.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.522 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -75.01 -32.93 4.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -42.94 -45.56 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 82' ' ' ARG . 11.9 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.9 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -37.56 -56.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -58.85 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.7 mtm -46.99 -58.63 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.3 t -53.71 -35.31 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.82 -54.66 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -41.67 -62.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 23.7 m-85 -58.35 -51.52 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -43.72 -41.28 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -71.33 -64.05 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -43.7 -39.47 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 7.5 t80 -59.33 -54.31 48.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.68 -42.71 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -48.26 -63.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.11 -32.15 67.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.5 mt -84.17 6.63 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 50.1 59.77 7.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.723 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.9 t -130.98 154.86 47.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -88.68 -53.36 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.17 167.94 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.14 157.37 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -141.55 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 136.13 33.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.1 t -84.12 114.18 52.79 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 71.54 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -42.93 -26.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -48.71 -38.72 22.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.77 -32.28 65.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -37.64 59.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.53 -11.95 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -146.37 65.28 10.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.17 18.14 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -83.26 -37.37 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -86.79 -61.86 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 82' ' ' ARG . 12.9 mt -97.38 118.67 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.7 p90 -159.6 -169.68 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG12 ' HG ' ' A' ' 49' ' ' LEU . 25.8 t -129.35 155.22 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.43 164.97 20.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.97 29.82 75.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -83.34 164.25 46.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 145.65 31.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.87 144.5 57.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.73 29.39 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.57 110.8 4.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.662 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.2 t80 -121.27 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 -175.12 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 156.7 76.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.03 -11.24 21.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 p -81.08 -8.19 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -103.54 -53.11 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.3 m-85 -39.35 139.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.42 176.36 19.06 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -64.29 -49.53 72.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -31.14 6.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 17.0 mtt-85 -58.61 -51.28 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 8' ' ' LEU . 31.5 mt -47.54 -68.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.98 -56.62 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' GLU . 12.2 mtpt -40.26 -56.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 97.6 mt -55.07 -44.66 75.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.7 mt -58.4 -41.31 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -61.29 -26.77 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 29.7 m -111.76 10.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.92 -5.35 52.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.28 -10.13 33.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -115.06 -12.19 11.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -50.62 152.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -147.63 143.38 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.2 m-85 -119.88 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 70.9 t -100.62 127.32 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.575 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -109.86 74.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -58.18 -40.57 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 44' ' ' LEU . 38.7 mtt180 -138.14 90.31 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.489 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.45 -51.26 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -38.69 -61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -58.06 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 mtm -47.72 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.606 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.5 t -45.05 -43.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -69.48 -45.3 69.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -44.62 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.1 m-85 -58.02 -52.65 64.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 52.4 m -44.02 -35.49 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -77.05 -70.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -42.31 -28.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.8 t80 -70.98 -51.4 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -57.45 -40.62 78.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -49.6 -63.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.45 -31.92 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.62 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 94.7 mt -84.52 7.28 20.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.52 58.91 6.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.589 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.6 t -129.22 152.27 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.73 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -85.23 -53.41 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.68 166.4 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.26 158.82 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 41.5 mtmt -141.91 170.74 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.63 131.63 36.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 20' ' ' PHE . 46.9 t -80.42 114.41 47.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.93 76.16 3.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.83 -24.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.45 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -51.8 -36.96 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.4 m-85 -77.01 -25.97 53.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -37.49 39.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.59 42.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 85' ' ' LEU . 58.9 m-70 -147.27 64.61 8.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.96 -21.73 15.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -24.42 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.63 -60.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 82' ' ' ARG . 11.8 mt -101.07 118.08 36.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.6 p90 -159.45 -167.37 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' HG ' ' A' ' 49' ' ' LEU . 11.7 t -131.0 154.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -125.98 164.45 20.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 29.5 71.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -84.77 164.02 44.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.96 140.11 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 53' ' ' ILE . 27.7 m-80 70.23 28.49 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 52' ' ' ASN . 3.9 mt -146.24 110.01 4.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 40.1 t80 -117.86 94.73 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.7 175.51 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.54 161.86 3.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -30.29 7.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -59.88 -15.35 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 72.7 m95 -94.18 -60.13 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.59 137.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.21 -179.88 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.75 -48.5 63.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 26.8 mtt180 -55.9 -53.11 60.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 27.5 mt -44.63 -65.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.1 mt-10 -44.44 -57.91 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -40.98 -49.08 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 61' ' ' TYR . 94.2 mt -63.45 -45.7 97.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.93 -40.32 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.16 -36.85 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 m -103.77 10.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -73.17 -2.33 58.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.3 -11.54 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -114.2 -17.54 11.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.404 HD11 HG23 ' A' ' 69' ' ' ILE . 5.9 mt -44.29 154.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.9 ttpm? -147.29 145.15 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 9.1 m-85 -119.86 114.31 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.578 HG12 ' HG2' ' A' ' 81' ' ' LYS . 96.4 t -96.16 128.15 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -109.36 73.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.21 -42.74 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.0 mtt85 -135.15 90.36 21.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -27.87 9.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.55 -44.17 17.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 40' ' ' HIS . 33.5 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.3 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -37.34 -61.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -58.18 7.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.8 mtm -47.36 -62.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 66' ' ' LEU . 19.5 t -48.97 -50.48 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.91 -45.81 51.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -69.66 -46.67 65.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.25 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 12' ' ' VAL . 22.0 m-85 -54.95 -49.66 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.9 m -47.77 -60.07 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 6.2 tptp -49.54 -70.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -41.16 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 1.094 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.3 t80 -46.85 -42.49 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.14 -43.78 98.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.67 -54.7 25.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.2 -26.7 67.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.094 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 91.5 mt -85.14 -14.03 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.34 55.22 22.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.06 156.98 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m -86.02 -46.38 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.71 168.1 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.32 146.85 26.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -130.39 166.39 20.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.66 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG22 ' CD2' ' A' ' 20' ' ' PHE . 83.9 t -83.55 114.29 52.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.97 3.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -44.74 -25.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.66 -57.45 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -49.85 -37.58 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -74.49 -28.21 60.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.36 44.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.95 -11.66 52.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.466 ' CD2' HD13 ' A' ' 85' ' ' LEU . 79.9 m-70 -149.14 64.14 7.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.98 -16.86 20.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -80.73 -38.84 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 43.4 m-20 -92.26 -55.04 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' HIS . 90.2 mt -97.46 117.47 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.2 p90 -166.08 -172.43 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.69 153.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -127.5 170.17 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.54 29.68 75.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.98 164.19 42.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.99 139.92 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 69.35 29.01 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -145.18 110.41 4.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -167.75 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.7 t80 -114.01 92.56 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.71 174.77 9.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.76 165.07 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.96 -27.27 10.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -61.97 -25.83 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.1 m95 -83.3 -60.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.633 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.0 m-85 -37.59 134.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.71 -179.36 6.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.25 -48.46 68.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.06 -34.74 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 11.1 mtt-85 -55.22 -50.19 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.583 ' CD2' HG21 ' A' ' 12' ' ' VAL . 27.0 mt -46.71 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.05 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 6.4 mtpt -39.69 -52.77 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.633 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.6 mt -59.91 -46.08 94.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 8' ' ' LEU . 5.4 mt -55.75 -38.41 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.06 -34.89 75.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 35.4 m -104.63 9.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.36 -6.81 49.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -96.02 -11.1 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 6.6 ptp180 -111.6 -18.34 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 69' ' ' ILE . 7.3 mt -46.65 155.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.4 147.49 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 3.8 m-85 -121.88 118.82 29.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.516 HG11 ' OH ' ' A' ' 45' ' ' TYR . 96.8 t -103.64 115.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.597 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -101.48 73.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.7 mttt -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.717 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.0 mtt180 -139.2 87.43 13.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.74 -40.72 29.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 82' ' ' ARG . 42.5 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 153.53 31.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -72.06 129.79 39.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 -102.11 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 49.06 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.97 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.07 127.97 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 107.64 117.59 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.1 mt -38.75 -65.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -37.27 -56.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -60.58 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -57.29 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' CD2' ' A' ' 66' ' ' LEU . 39.6 t -51.75 -52.14 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -47.57 -51.41 21.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.76 -49.01 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.49 -62.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.52 -53.32 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -42.65 -51.17 5.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -60.33 -69.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -40.19 -57.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 17.6 t80 -46.5 -42.15 15.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -64.0 -51.5 63.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.07 -59.73 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -54.72 -41.69 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 mt -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.07 53.52 6.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 159.03 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.71 -44.32 9.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 157.52 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -141.06 171.12 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.74 126.23 36.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 20' ' ' PHE . 89.4 t -73.58 114.05 28.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.95 74.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -46.55 -24.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.14 -56.89 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.37 -39.08 56.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.13 -24.13 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -43.91 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.01 -12.24 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.1 m-70 -148.25 64.68 8.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -75.01 -22.46 14.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.63 -26.47 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -99.34 -58.24 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -99.25 117.28 33.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.1 p90 -158.08 -172.01 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 77' ' ' LYS . 5.6 t -129.0 155.09 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -128.87 164.0 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.1 29.86 70.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -85.36 164.07 42.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.0 34.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.24 145.15 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.79 29.56 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.89 112.36 5.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 35.0 t80 -116.69 94.76 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -134.79 -178.59 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.8 159.52 25.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -23.27 13.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -70.4 -6.32 34.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -103.89 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.51 139.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.43 174.82 22.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -63.29 -48.75 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.99 -32.22 5.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt180 -57.51 -52.79 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.716 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.9 mt -44.74 -68.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -42.18 -59.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.0 mtpt -39.98 -49.49 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' A' ' 61' ' ' TYR . 92.0 mt -62.07 -46.9 95.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 4.9 mt -55.6 -40.86 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.72 -39.52 81.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 29.5 m -99.66 9.83 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.59 -6.76 51.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -95.13 -11.35 28.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.5 ptp180 -113.05 -9.34 13.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -55.7 154.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 46' ' ' VAL . 50.5 tttt -147.36 147.87 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.7 m-85 -124.65 120.81 32.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 73.6 t -102.86 130.41 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -113.04 72.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.456 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.54 -39.8 68.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -141.96 93.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -25.95 11.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' THR . 12.3 pt-20 -51.8 -36.56 48.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.5 mt -49.66 -37.15 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.7 -32.39 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.4 m 54.96 79.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.9 m170 59.29 179.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 t -127.48 -62.36 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.95 146.93 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 t -167.33 55.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.7 78.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.1 p -162.07 133.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -142.41 92.92 2.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.05 168.63 12.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.13 129.63 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.69 -59.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m 60.79 90.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.3 168.3 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.21 161.91 9.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -135.22 110.84 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.52 131.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 85.17 114.67 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.0 mt -38.3 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -38.12 -60.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -57.38 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.9 mtm -48.8 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.5 t -46.79 -46.86 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.78 -63.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -51.88 -47.47 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 tp -42.93 -62.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 22.0 m-85 -57.65 -42.74 84.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.564 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 51.6 m -52.53 -51.58 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.09 -69.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -41.19 -48.82 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.9 t80 -54.62 -47.19 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -62.63 -46.49 88.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -42.83 -57.93 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.66 -39.46 73.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 76.8 mt -70.48 -18.58 62.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 78.31 51.06 5.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.539 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 9.2 t -125.42 164.89 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -95.02 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.05 168.06 19.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 17' ' ' CYS . . . -77.02 153.43 34.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -129.56 164.37 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.17 110.61 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.491 HG22 ' CG ' ' A' ' 20' ' ' PHE . 47.3 t -65.17 112.46 8.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.97 71.56 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -43.15 -26.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' GLU . 55.6 mt-30 -67.42 -58.83 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -50.0 -33.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -79.82 -25.54 40.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -81.04 -37.94 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.14 -10.8 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 46.9 m-70 -149.82 64.22 6.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.02 -21.71 15.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.01 -21.62 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 44.9 m-20 -105.12 -57.66 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD13 HD21 ' A' ' 86' ' ' LEU . 23.7 mt -100.08 115.97 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -161.87 -170.73 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' A' ' 49' ' ' LEU . 7.1 t -126.51 156.71 37.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 164.67 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.32 29.77 71.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -84.77 164.1 43.64 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.44 38.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.92 139.66 55.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.98 28.92 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -145.41 110.55 4.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 37.4 t80 -119.81 96.59 5.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -136.26 -175.42 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.64 159.87 64.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -22.78 14.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.7 p -69.8 -7.06 36.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -103.39 -56.32 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.9 m-85 -39.35 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.96 176.53 21.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -63.82 -48.5 79.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -33.06 4.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 23.7 mtt180 -56.82 -52.96 63.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.5 mt -45.15 -70.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -39.29 -59.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -40.45 -52.35 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' TYR . 86.4 mt -59.15 -46.9 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HD23 ' A' ' 8' ' ' LEU . 4.5 mt -55.52 -40.48 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.56 -31.51 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.48 10.36 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.82 -3.54 55.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -95.98 -10.75 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -19.94 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 6.9 mt -43.44 154.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.64 145.14 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -120.25 112.82 19.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 85.8 t -97.76 125.11 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.523 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.37 72.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.1 mmpt? -52.1 -46.75 65.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB2' HD12 ' A' ' 85' ' ' LEU . 67.1 mtt-85 -135.55 92.01 17.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.97 -32.0 5.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.7 pt-20 -43.58 -49.16 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.5 mt -45.07 -44.56 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.566 HD21 HD13 ' A' ' 44' ' ' LEU . 23.0 mt -59.57 -40.38 87.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' GLU . 6.3 m 58.2 89.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -54.55 128.09 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -165.94 73.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 m -149.46 131.83 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.6 t -116.15 -37.44 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 75.78 157.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.9 t -140.34 82.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.8 p -159.11 150.96 20.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.63 106.61 0.99 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.7 p -45.57 163.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 p -141.55 139.84 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t 64.65 129.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.795 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -59.02 144.33 45.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -102.64 -63.1 0.72 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 1.2 t 80.29 -58.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.46 165.01 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 121.28 101.26 1.74 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.3 mt -37.88 -64.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -37.85 -59.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -57.85 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.0 mtm -48.92 -60.89 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 66' ' ' LEU . 54.4 t -48.39 -48.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.79 -45.63 63.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -69.12 -47.4 65.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.04 -62.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.42 -43.3 83.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.37 -51.46 58.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -60.67 -69.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -41.15 -55.74 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.826 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.6 t80 -50.04 -42.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.08 -45.02 87.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -46.6 -54.66 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.39 -30.07 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.826 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.3 mt -81.53 -12.38 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.74 54.99 31.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.15 159.91 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -90.05 -46.02 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.39 154.52 21.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.68 157.67 31.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -140.6 171.82 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.6 123.46 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.69 HG22 ' CD2' ' A' ' 20' ' ' PHE . 47.2 t -70.05 113.62 19.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.723 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.02 77.38 3.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -50.4 -21.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -67.38 -57.81 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 19.7 mmtm -54.56 -36.3 64.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.93 -22.49 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -44.11 14.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.72 -11.58 59.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 15.6 m-70 -147.21 64.98 9.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -18.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.61 -37.17 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -93.22 -57.64 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 86' ' ' LEU . 47.6 mt -96.28 120.51 36.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.7 p90 -167.85 -170.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 49' ' ' LEU . 18.8 t -128.69 153.21 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 165.63 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 30.19 73.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.61 164.19 41.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.98 42.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.03 139.47 41.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.52 29.22 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.69 112.29 4.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -163.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 25.4 t80 -121.39 96.0 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 -179.72 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.22 159.44 22.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -23.02 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -68.91 -7.92 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -102.73 -56.89 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.09 138.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.53 -179.88 11.26 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -66.58 -49.05 53.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -31.79 5.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.4 mtt-85 -57.9 -52.59 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -45.73 -65.88 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -44.61 -57.27 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 34.7 mtpt -39.61 -51.94 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 71.4 mt -60.89 -47.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.08 -40.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -57.96 -40.74 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.74 19.0 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -79.24 5.24 60.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.98 -15.71 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -108.66 -13.3 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -46.87 155.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 147.12 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.1 m-85 -122.56 119.0 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 97.7 t -101.91 121.87 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -106.93 74.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 11.6 mttt -64.39 -22.36 66.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.3 mtp180 -156.63 89.86 2.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.582 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.04 -31.54 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.47 -43.18 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 17.7 mt -47.45 -30.07 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.723 HD22 ' HG2' ' A' ' 33' ' ' PRO . 8.0 mt -79.7 -43.38 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 17.7 m -45.62 141.26 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 87' ' ' THR . 8.5 t-80 85.22 -50.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.631 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -97.17 104.12 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.4 m -135.93 148.34 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 m -127.72 150.76 49.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.59 174.06 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.89 -58.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -177.33 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.07 162.83 12.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.79 4.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t 41.8 77.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -138.66 112.38 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m 61.83 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -171.05 162.38 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.68 -160.82 36.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -148.58 91.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.968 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p -152.55 94.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 125.95 118.09 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 70' ' ' ILE . 14.2 mt -37.39 -64.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 27.3 mtm-85 -36.46 -58.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -61.8 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 36.3 mtp -47.46 -57.05 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG21 ' CD2' ' A' ' 66' ' ' LEU . 68.1 t -52.1 -53.23 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.49 -46.69 38.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.77 -46.48 71.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -44.4 -62.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.0 m-85 -57.51 -53.31 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.2 m -43.92 -40.86 4.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -71.02 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -41.04 -33.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.0 t80 -65.55 -52.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -55.9 -42.04 75.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.08 -62.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.7 -35.41 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 93.9 mt -80.2 2.14 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 52.6 60.06 8.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.637 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 5.2 t -128.54 159.57 35.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -91.58 -50.39 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -80.57 166.79 20.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 156.88 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -135.52 169.13 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.27 121.43 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 20' ' ' PHE . 99.4 t -71.51 113.75 22.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.0 72.5 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -42.95 -26.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 8.9 mm100 -68.94 -50.81 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.8 m-85 -75.81 -26.77 57.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -40.15 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.96 -15.44 51.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CD2' HD13 ' A' ' 85' ' ' LEU . 52.0 m-70 -145.79 65.41 11.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.62 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.07 14.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.7 -20.67 35.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -101.47 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 82' ' ' ARG . 17.8 mt -101.35 117.72 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.8 p90 -159.99 -171.25 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 77' ' ' LYS . 4.7 t -128.87 153.99 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.4 166.47 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.34 29.82 71.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.89 164.13 40.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.69 42.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.553 1.818 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.52 144.55 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 64.15 28.8 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.51 108.63 4.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.755 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 43.4 t80 -117.95 93.78 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -128.92 -172.52 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.79 157.78 89.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -10.15 21.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -7.85 59.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -103.47 -50.09 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -44.15 137.37 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.81 -179.98 9.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -48.87 58.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.87 5.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.8 mtt-85 -56.68 -51.47 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.696 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.4 mt -46.55 -66.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -43.96 -56.89 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 13.1 mtpt -40.03 -54.72 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 61' ' ' TYR . 95.8 mt -59.8 -45.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.674 HD12 ' CD2' ' A' ' 8' ' ' LEU . 7.4 mt -56.36 -39.62 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.0 -34.06 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.36 11.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.91 -3.36 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -10.48 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.7 -15.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -47.78 154.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 46' ' ' VAL . 37.3 ttpt -147.47 147.46 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.15 114.43 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.5 t -97.66 125.03 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.2 mm -107.76 73.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -56.7 -43.44 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.8 mtt180 -135.06 90.03 22.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.0 pt-20 -48.23 -44.78 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.0 mt -45.07 -35.2 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.78 -42.78 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.9 m 63.0 96.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 151.46 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.94 120.57 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.0 m -73.25 139.24 46.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -136.29 132.65 36.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.0 123.5 27.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.61 136.78 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -158.39 142.98 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.6 164.59 10.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.97 39.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.01 90.87 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -95.67 129.99 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 t -93.77 144.65 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.953 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -154.97 -51.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.86 100.5 0.65 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m 62.38 132.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -161.06 -63.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -174.09 121.79 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.7 mt -37.9 -64.38 0.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -38.2 -59.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtm -49.51 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 ' CD2' ' A' ' 66' ' ' LEU . 17.7 t -44.51 -45.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -50.06 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -65.17 -44.46 88.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.77 -64.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.1 m-85 -57.23 -42.84 82.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 m -49.4 -52.21 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 108.356 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.2 tttt -61.46 -67.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -40.26 -57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 27.6 t80 -48.78 -41.34 32.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.74 -42.97 90.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -48.79 -59.6 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.585 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.29 -38.42 68.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 79.7 mt -71.46 -20.66 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.21 52.32 8.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.23 162.24 21.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -91.53 -47.73 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.5 167.7 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.37 149.06 25.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -128.81 168.6 15.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.47 119.28 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 20' ' ' PHE . 91.3 t -66.72 114.18 16.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 69.98 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -46.34 -24.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -52.61 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 29.4 mmtm -55.8 -38.66 70.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.6 m-85 -71.73 -26.32 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.8 -44.02 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.71 -15.08 58.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.9 66.06 12.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.96 13.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.92 -28.27 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 27.7 m-20 -96.74 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.75 119.1 36.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -157.91 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 55' ' ' PHE . 26.3 t -129.4 153.23 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -127.26 167.48 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.24 29.72 73.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.28 163.85 38.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 151.64 40.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.02 142.26 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 t30 67.97 29.21 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.94 112.69 4.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 39.4 t80 -114.59 94.04 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.55 -175.72 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 160.84 53.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.98 -21.53 15.8 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -70.86 -6.24 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -103.9 -57.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.627 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.63 136.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.71 -179.77 9.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -66.21 -48.66 58.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -32.9 4.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.1 mtt180 -56.97 -52.88 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.616 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -45.19 -64.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.9 mt-10 -45.92 -58.93 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 8.0 mttp -39.99 -49.68 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.9 mt -62.49 -47.36 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 8' ' ' LEU . 4.7 mt -55.19 -40.06 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.14 -39.82 79.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 27.9 m -100.95 10.36 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.43 -7.51 52.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -95.24 -11.36 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -111.97 -11.65 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -53.55 154.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.48 147.36 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 6.9 m-85 -122.57 119.84 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 89.3 t -103.68 123.68 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.585 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.0 mm -105.8 72.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.3 mmpt? -55.31 -42.78 74.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -138.61 91.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 -27.5 9.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.9 pt-20 -49.37 -40.12 34.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.418 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 27.6 mt -48.91 -33.67 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' HIS . 5.5 mt -74.37 -33.86 63.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 92.9 m 65.57 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 t-160 -145.76 -178.94 6.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.98 161.52 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.2 m -118.08 117.9 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -120.68 118.3 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.68 167.37 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.75 51.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 147.07 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.42 132.18 1.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 76.15 3.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.75 126.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.35 105.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.97 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 57.99 80.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 160.63 33.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 p -170.58 116.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.723 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -174.13 91.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.969 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 115.21 117.72 3.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.3 mt -37.99 -66.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.8 mtm-85 -38.01 -60.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -54.61 29.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 mtm -53.23 -61.41 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.5 t -48.27 -45.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -45.61 76.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.74 -44.95 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -46.36 -64.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 19.2 m-85 -53.44 -47.0 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -46.22 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.16 -69.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -39.99 -60.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 1.089 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.9 t80 -47.5 -43.25 24.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.14 -44.24 97.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -47.91 -55.76 9.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -59.28 -37.63 78.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.089 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.9 mt -74.34 -13.25 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 62.34 58.47 12.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 153.66 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -81.41 -46.28 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -89.53 163.45 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.96 154.74 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HG2' HG21 ' A' ' 90' ' ' THR . 5.4 mttt -134.18 168.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.58 118.01 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 20' ' ' PHE . 70.4 t -64.25 112.97 8.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.94 72.57 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -46.59 -24.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.68 -54.59 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 24.1 mmtm -55.51 -32.64 63.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 5.7 m-85 -78.25 -25.02 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -41.22 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.47 -17.85 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 45.4 m-70 -144.34 64.8 12.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -20.16 17.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.42 -22.98 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 72.7 m-20 -102.42 -53.7 2.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.4 115.96 31.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.8 p90 -159.51 -170.39 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 6.3 t -126.36 156.39 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.34 164.49 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.44 29.75 71.54 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -86.1 164.03 40.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.38 140.64 50.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 69.5 29.38 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.66 110.8 4.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.8 t80 -115.88 94.19 4.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -132.12 -174.21 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 158.05 73.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -10.68 21.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 p -81.69 -6.55 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -104.17 -52.01 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -41.42 137.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.11 176.58 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.35 -48.52 75.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -74.96 -30.85 6.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 25.1 mtt180 -58.99 -54.13 50.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.4 mt -43.84 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -38.95 -59.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 5.8 mtpm? -39.68 -52.01 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 61' ' ' TYR . 88.8 mt -59.82 -46.78 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.8 -41.89 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -57.04 -40.72 77.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.8 m -104.34 18.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -80.33 6.38 60.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -100.28 -14.71 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -110.63 -15.63 13.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -43.64 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.3 tttt -147.75 148.65 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.0 m-85 -123.96 115.94 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.3 t -99.71 125.78 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.544 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -107.85 72.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.586 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.4 mmpt? -52.91 -46.51 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB2' HD12 ' A' ' 85' ' ' LEU . 27.5 mtt85 -135.46 91.6 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -28.99 8.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.2 pt-20 -46.6 -46.4 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 82' ' ' ARG . 8.2 mt -46.71 -34.75 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.082 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt -68.65 -40.91 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.7 m 60.51 105.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -40.98 103.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.588 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -167.67 89.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.717 HG21 ' HG2' ' A' ' 30' ' ' LYS . 38.3 m -139.45 124.74 19.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.8 t -110.67 157.59 19.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -152.65 154.0 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 93' ' ' VAL . 3.7 p -171.66 48.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.29 158.02 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.78 93.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.3 p -176.78 132.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -88.12 -61.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.64 108.69 19.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -130.38 140.63 50.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.08 178.18 18.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.14 83.66 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t 61.64 142.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 116.7 70.68 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.0 mt -38.69 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -38.12 -55.79 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -60.55 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -47.35 -58.39 4.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 66' ' ' LEU . 37.9 t -49.56 -51.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -55.37 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.39 -43.7 96.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.75 -65.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.9 m-85 -54.43 -43.6 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -52.6 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -48.53 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -41.5 -58.06 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.4 t80 -48.01 -42.32 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.53 -42.39 99.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.17 -51.16 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -64.81 -25.8 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.0 mt -87.13 -9.93 54.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 60.24 55.12 31.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.54 154.92 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.4 p -82.34 -48.67 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.57 166.9 14.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.07 158.48 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.16 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.28 133.39 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.2 t -79.56 114.4 45.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.03 80.23 2.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 27.3 m-85 -47.6 -23.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -67.71 -61.07 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -47.41 -37.76 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.672 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.2 m-85 -74.22 -31.42 62.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -75.74 -40.54 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.42 -16.39 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CD2' HD13 ' A' ' 85' ' ' LEU . 60.3 m-70 -145.31 64.01 10.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -16.69 20.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -40.03 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -91.51 -55.43 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 79.4 mt -96.5 118.27 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.5 p90 -167.09 -175.5 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 t -124.16 154.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -127.61 168.32 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.71 74.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -84.91 164.16 43.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.0 42.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.53 139.14 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 69.47 28.83 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.39 109.54 4.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.88 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.9 t80 -112.14 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -125.4 -174.02 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -72.66 162.45 74.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -24.62 12.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -70.69 -6.13 34.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -104.06 -57.59 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.9 m-85 -38.76 138.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.54 179.16 12.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -65.16 -48.49 69.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -34.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.8 mtt180 -55.26 -51.93 65.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.0 mt -46.11 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -39.51 -59.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 3.6 mttp -39.65 -52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 66.1 mt -59.66 -48.01 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 8' ' ' LEU . 3.5 mt -55.07 -41.66 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.71 -38.78 75.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.52 12.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -72.74 -2.52 56.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -98.22 -10.82 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -112.26 -13.71 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 mt -50.18 155.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.57 147.44 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.6 m-85 -121.92 116.66 24.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 81' ' ' LYS . 97.0 t -100.45 118.98 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -104.6 73.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.0 mttt -62.11 -33.44 74.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.674 ' HB2' HD12 ' A' ' 85' ' ' LEU . 68.2 mtt180 -142.96 89.27 7.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.5 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -36.64 2.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.18 -41.56 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 82' ' ' ARG . 38.7 mt -45.17 -42.69 9.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 33' ' ' PRO . 19.2 mt -63.91 -42.66 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m 62.45 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.05 -178.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p 43.67 81.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.5 m -98.67 148.86 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -95.76 134.05 39.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.97 -59.6 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t 61.54 107.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.39 95.88 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -127.51 97.52 0.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 62.7 5.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.95 145.11 30.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.9 p -178.59 121.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 138.92 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -121.34 127.59 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.64 110.55 3.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.103 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -144.93 86.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.2 87.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -144.27 102.95 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.775 ' CD2' HD12 ' A' ' 70' ' ' ILE . 17.4 mt -38.47 -63.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' LEU . 41.1 mtm180 -37.3 -53.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.9 mtp -42.69 -57.85 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 66' ' ' LEU . 48.8 t -50.84 -54.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -46.22 -52.09 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -62.68 -47.43 83.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tp -42.43 -62.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.9 m-85 -58.62 -42.18 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.2 m -50.77 -53.03 35.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -61.12 -68.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -40.4 -57.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.2 t80 -48.53 -42.82 34.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -63.83 -48.67 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -41.38 -58.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.98 -34.89 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.726 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 84.1 mt -74.77 -20.48 59.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.1 49.49 21.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.76 163.54 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -92.08 -49.04 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.93 167.88 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.59 152.06 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -132.29 166.67 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.4 119.43 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 20' ' ' PHE . 78.1 t -65.66 114.26 15.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.98 70.44 5.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -40.75 -28.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -65.08 -55.25 19.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -49.86 -37.57 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.2 m-85 -75.76 -22.47 56.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -80.15 -44.7 19.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -7.24 59.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -153.0 64.82 5.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 -21.08 16.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.87 -31.36 31.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 8.4 m-20 -90.48 -59.39 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.01 115.86 29.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -154.43 -171.17 3.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 7.5 t -130.15 155.38 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.91 164.6 21.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.41 30.39 71.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -85.94 163.95 41.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.93 43.05 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.55 138.96 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t30 69.88 29.41 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -145.24 112.76 4.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 30.7 t80 -119.15 96.22 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -139.1 171.24 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 160.17 0.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.02 -27.56 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -13.11 27.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.9 m95 -96.42 -58.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 108.025 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.618 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.9 m-85 -37.45 137.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.58 -179.86 11.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -66.24 -48.47 58.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 18.7 mtt180 -57.34 -53.05 62.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 12' ' ' VAL . 30.7 mt -43.89 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -41.11 -57.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.2 mtpt -39.83 -55.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 61' ' ' TYR . 96.4 mt -60.05 -41.7 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.775 HD12 ' CD2' ' A' ' 8' ' ' LEU . 11.7 mt -60.6 -38.16 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -63.03 -28.09 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.56 11.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.71 -4.02 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.49 -11.67 27.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -112.75 -13.86 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.486 HD11 HG23 ' A' ' 69' ' ' ILE . 7.0 mt -52.18 155.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 12.0 ttpt -147.38 149.12 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -123.57 118.75 28.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.1 t -102.81 125.77 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.563 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -106.25 73.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.5 mmpt? -54.05 -46.04 71.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.4 mtt180 -134.79 90.88 21.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.08 -32.43 5.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -43.43 -46.79 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 82' ' ' ARG . 12.4 mt -45.05 -42.97 9.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.62 -43.77 98.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.1 m -56.26 -61.97 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.432 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 41.92 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.8 t -48.13 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 t -162.18 126.04 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.3 t -127.43 136.01 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.32 119.7 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.253 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.92 135.92 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.2 t 178.67 150.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.37 -162.42 14.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.97 144.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 p -161.01 83.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m 55.44 83.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p -139.9 91.95 2.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.02 -62.75 0.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p 41.07 90.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.5 -42.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -66.36 113.28 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.1 mt -37.72 -62.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -38.03 -58.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -60.43 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -63.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' A' ' 66' ' ' LEU . 31.1 t -46.25 -47.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -53.66 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -44.89 96.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.1 -62.89 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 32' ' ' VAL . 27.8 m-85 -59.36 -53.04 62.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.7 m -42.87 -33.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -79.97 -69.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -41.95 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.5 t80 -67.62 -56.79 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.7 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.32 -59.86 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -60.03 -32.0 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.8 mt -82.7 3.38 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.36 57.85 7.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 164.88 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -90.87 -49.46 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.21 167.87 12.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.65 162.94 23.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -141.3 169.12 18.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.68 122.05 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 16' ' ' PHE . 57.6 t -67.94 113.22 13.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 75.01 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -45.8 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.73 -59.8 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -49.46 -36.81 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.3 m-85 -75.86 -25.82 56.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -80.41 -40.84 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.6 -13.97 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -146.19 65.8 10.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.29 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.26 -30.89 30.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 39.9 m-20 -89.54 -61.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 121.36 41.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.4 p90 -160.78 -173.08 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.3 t -125.87 153.31 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 167.03 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.9 29.77 75.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -85.01 163.98 43.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.64 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.11 140.23 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 53' ' ' ILE . 1.8 t-20 69.96 28.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.3 mt -146.09 110.49 4.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.4 t80 -118.41 95.12 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.01 175.97 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.21 159.3 11.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -22.04 15.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -6.91 36.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -104.03 -55.19 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 5.2 m-85 -40.14 138.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.3 -179.81 10.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.555 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.54 -49.25 52.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.41 5.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 9.0 mtt180 -57.16 -52.53 64.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.647 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.7 mt -45.45 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.4 mt-10 -47.1 -55.8 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.2 mtpp -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 90.6 mt -62.45 -45.14 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.4 mt -56.91 -39.25 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -60.25 -37.27 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.9 m -106.65 16.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.24 3.78 61.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -100.01 -12.2 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -114.92 -8.11 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.456 HD11 HG23 ' A' ' 69' ' ' ILE . 6.8 mt -51.31 155.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.4 tttt -147.77 149.76 32.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.81 114.64 19.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 81' ' ' LYS . 92.1 t -94.8 126.89 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.498 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -108.95 72.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.3 mmpt? -56.44 -43.18 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt85 -134.65 90.06 24.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.05 -34.42 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.26 -44.24 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.3 mt -47.48 -42.44 22.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.6 mt -70.3 -42.28 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.422 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 94.5 m -54.82 130.51 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.422 ' CB ' ' O ' ' A' ' 87' ' ' THR . 6.4 t-160 81.7 66.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.48 128.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -155.3 131.39 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.7 p -88.93 179.44 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -145.95 142.13 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.56 143.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.2 p -175.34 139.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -179.4 157.24 20.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.6 15.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 t -100.96 -58.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p -154.66 160.8 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -156.01 93.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 74.26 -66.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.38 -45.86 5.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m 47.03 95.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.53 159.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 112.72 69.7 0.54 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.7 mt -38.37 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.4 mtm180 -37.36 -56.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -55.53 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.04 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 66' ' ' LEU . 20.7 t -50.05 -47.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -53.05 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -45.21 -62.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.1 m-85 -56.33 -45.97 80.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -49.46 -58.93 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -52.03 -70.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -40.52 -57.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 1.114 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.1 t80 -46.57 -42.03 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -62.2 -49.63 75.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -42.26 -57.08 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.61 -41.61 86.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.114 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.4 mt -69.99 -10.6 59.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.53 56.3 23.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.47 162.95 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -94.73 -42.31 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.43 162.65 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.67 137.39 32.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -119.62 169.75 9.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 121.31 31.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 20' ' ' PHE . 58.5 t -67.13 113.8 15.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.07 75.32 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 35.5 m-85 -47.03 -23.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.0 -55.26 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -52.39 -34.7 49.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.1 m-85 -80.13 -23.82 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -37.49 31.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.07 -15.78 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -143.75 64.67 13.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 -23.45 13.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -77.91 -24.42 48.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -100.36 -57.53 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 mt -100.63 116.06 31.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -154.76 -173.84 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.6 t -130.94 138.23 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -110.64 168.69 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.28 29.69 73.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.39 164.0 37.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.43 42.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.85 139.96 41.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 70.03 29.15 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.95 112.7 4.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.35 2.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.2 t80 -109.7 90.92 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -130.75 -175.12 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.531 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.08 162.33 47.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -22.5 14.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -6.56 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.12 -52.8 2.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -43.11 138.24 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.85 -179.79 11.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -49.19 56.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -32.16 5.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 32.0 mtt180 -57.53 -50.32 73.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.687 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.2 mt -47.15 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.467 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.96 -58.01 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.6 mttt -39.79 -51.15 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.0 mt -61.44 -46.59 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 5.2 mt -56.36 -40.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.05 -35.6 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 m -107.67 13.37 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.38 -6.01 52.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -94.57 -16.08 23.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -107.09 -9.52 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.501 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -54.81 154.5 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 tttp -147.49 148.69 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 10.0 m-85 -125.12 119.06 27.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.625 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -103.04 127.96 56.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.617 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -110.32 72.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -54.86 -40.16 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -138.33 89.45 14.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 -29.58 8.0 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.5 pt-20 -49.26 -42.64 41.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt -45.39 -40.37 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.98 -42.78 94.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.5 m 62.83 136.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -48.63 153.1 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 p -164.08 164.17 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -119.14 147.52 44.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -149.56 161.11 42.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -178.23 -60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.8 t 60.11 96.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 132.13 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.37 157.38 22.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 158.7 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.8 p -155.3 85.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.6 p -175.09 86.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -170.27 157.95 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m 60.04 157.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.93 137.07 7.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -59.4 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 168.52 8.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 125.02 64.63 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.4 mt -37.38 -64.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -38.7 -60.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -51.71 -58.41 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -49.47 -60.25 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.3 t -49.91 -49.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.51 -45.25 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.55 -44.99 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD21 HD12 ' A' ' 76' ' ' ILE . 3.1 tp -44.7 -63.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -55.01 -43.09 73.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.82 -61.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -48.48 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -41.28 -59.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 12.7 t80 -46.1 -41.71 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.86 -45.23 94.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.07 -58.93 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.28 -28.82 63.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.91 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 86.8 mt -80.82 -18.76 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 68.65 47.78 54.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.96 159.75 19.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -87.43 -46.82 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.69 167.35 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.88 156.81 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -140.66 167.1 22.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.35 137.6 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG22 ' CD2' ' A' ' 20' ' ' PHE . 99.7 t -85.09 114.07 53.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.658 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.94 72.55 4.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -46.81 -23.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -51.96 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.6 m-85 -78.79 -22.27 46.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.56 -42.54 18.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.11 -13.24 56.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 39.4 m-70 -145.24 64.32 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 -17.02 19.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.4 -32.69 32.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.07 -59.11 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.19 118.89 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -160.51 -168.36 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.1 t -131.78 155.77 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -128.68 164.25 23.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.11 29.77 72.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.26 163.97 45.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.05 42.21 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.56 138.85 47.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 69.97 28.61 4.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mt -145.69 109.4 4.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.87 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.0 t80 -116.23 92.13 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -130.11 179.51 5.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.64 161.71 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.99 -29.23 8.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 p -66.4 -10.27 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -98.3 -52.23 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 107.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -44.8 139.96 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.67 -179.78 11.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.75 -49.27 50.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.35 5.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -57.17 -51.26 70.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.603 ' CD2' HG21 ' A' ' 12' ' ' VAL . 34.4 mt -46.6 -67.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -41.67 -59.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.5 mtpt -40.48 -52.86 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 61' ' ' TYR . 80.8 mt -58.68 -47.19 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 HD23 ' A' ' 8' ' ' LEU . 3.4 mt -56.37 -40.94 69.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.07 -32.88 70.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.31 11.22 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.28 -6.34 61.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -9.13 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -114.75 -13.75 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.404 HD12 HD21 ' A' ' 15' ' ' LEU . 7.5 mt -50.84 155.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' HD3' HG23 ' A' ' 79' ' ' VAL . 3.6 tmtt? -147.57 142.94 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.8 m-85 -119.2 118.87 32.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 79.7 t -102.85 129.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.58 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.3 mm -111.66 75.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -33.86 73.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.6 mtp180 -145.32 91.43 5.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.95 -31.17 6.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -46.88 -43.98 19.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' ' 82' ' ' ARG . 13.0 mt -48.83 -37.84 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.658 HD22 ' HG2' ' A' ' 33' ' ' PRO . 23.6 mt -65.02 -39.51 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 11.2 m -52.74 120.2 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.475 ' CB ' ' O ' ' A' ' 87' ' ' THR . 2.7 t-80 86.56 91.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -178.93 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 m -137.39 150.87 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.6 p -118.91 77.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.4 t 53.01 79.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.7 p -117.61 124.38 48.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.39 94.54 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.25 20.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.466 1.771 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.4 t -81.84 -57.37 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m -87.64 162.51 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.09 88.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -112.22 171.12 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.73 100.82 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -124.24 -56.74 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.29 141.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 118.45 171.05 15.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 70' ' ' ILE . 15.6 mt -37.6 -66.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.5 mtt180 -36.82 -60.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -50.53 -56.86 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.9 mtm -51.75 -67.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.4 t -41.84 -42.43 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -50.09 74.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' MET . 13.2 mm-40 -65.15 -44.86 87.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -44.32 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.4 m-85 -56.89 -43.73 81.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.68 -49.54 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 4.4 ttpt -62.71 -67.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -42.48 -57.14 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.756 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 19.4 t80 -47.22 -40.23 15.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -67.08 -46.66 73.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -44.48 -58.33 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.5 -39.15 75.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.4 mt -70.96 -15.72 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.77 52.19 40.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.15 160.11 25.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -88.59 -45.7 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.66 167.42 16.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.51 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -138.43 169.6 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.22 122.15 32.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 ' CG ' ' A' ' 20' ' ' PHE . 59.1 t -69.0 113.56 17.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 72.95 4.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -43.19 -29.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -60.65 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -51.12 -44.38 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.0 m-85 -66.45 -24.27 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -41.37 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.98 -10.85 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.7 m-70 -144.18 64.1 12.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 -21.3 16.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -81.67 -28.6 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -97.55 -62.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.401 HD13 HD21 ' A' ' 86' ' ' LEU . 37.4 mt -96.1 115.83 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 4.2 p90 -156.84 -171.58 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 77' ' ' LYS . 53.2 t -129.09 151.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HG2' ' CE2' ' A' ' 45' ' ' TYR . 52.0 mm-40 -123.97 162.26 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.42 29.72 71.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.29 164.15 47.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.51 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.6 138.85 57.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.53 29.25 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.85 111.13 4.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.6 t80 -115.28 92.9 4.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 178.18 6.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.59 160.12 20.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.01 -21.16 16.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -71.54 -6.35 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 63.9 m95 -104.32 -57.56 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.5 m-85 -37.83 134.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -63.83 179.8 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.49 -48.93 65.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.67 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mtt-85 -56.3 -51.72 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.609 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.1 mt -47.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.6 mtpt -39.39 -54.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 ' CE1' ' A' ' 61' ' ' TYR . 82.2 mt -59.56 -46.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.61 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.44 -40.82 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.57 -39.66 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 32.7 m -99.14 8.54 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -67.21 -8.22 49.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -93.81 -12.52 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 6.0 ptm180 -112.53 -8.36 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.486 HD12 HD21 ' A' ' 15' ' ' LEU . 5.6 mt -55.25 154.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -147.43 141.29 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.4 m-85 -119.5 118.71 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 71.3 t -101.61 132.23 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm -113.32 74.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.95 -43.6 86.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB2' HD12 ' A' ' 85' ' ' LEU . 26.5 mtt180 -136.27 90.47 17.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.01 -35.26 3.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.0 -36.58 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 82' ' ' ARG . 48.6 mt -51.16 -44.41 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD22 ' HG2' ' A' ' 33' ' ' PRO . 29.8 mt -61.62 -42.58 99.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 88' ' ' HIS . 0.5 OUTLIER 51.94 175.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 87' ' ' THR . 0.5 OUTLIER -68.2 152.19 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.563 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.9 155.29 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 t -112.43 141.89 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -128.03 144.97 51.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -158.19 131.52 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 p -168.68 127.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.1 t -137.75 136.71 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.09 106.95 0.3 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.18 114.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -50.36 157.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' N ' HE22 ' A' ' 14' ' ' GLN . 77.3 p -160.55 141.26 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.16 160.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.57 -118.31 0.82 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p 39.45 80.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 0.0 110.032 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p 177.95 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -115.96 114.02 3.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 70' ' ' ILE . 15.0 mt -38.14 -65.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 74.9 mtm180 -36.97 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -57.23 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtm -49.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 66' ' ' LEU . 38.2 t -48.22 -48.84 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.11 -40.97 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.431 HE22 ' N ' ' A' ' 2' ' ' SER . 5.1 mm100 -74.73 -43.4 55.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.05 -62.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 26.7 m-85 -57.42 -50.57 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.0 m -44.24 -37.24 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -76.24 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.7 mmtt -43.5 -27.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 8.9 t80 -71.42 -56.34 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -53.94 -40.75 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.07 -62.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.36 -33.12 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 87.4 mt -84.23 5.48 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 49.7 58.87 7.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.612 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 1.1 t -129.33 142.86 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -78.46 -50.43 11.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.57 158.84 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB3' ' N ' ' A' ' 1' ' ' GLY . . . -77.57 157.67 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -142.17 169.28 17.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.56 34.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.4 t -79.39 114.32 44.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 76.16 3.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -46.61 -23.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.32 -60.07 3.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -49.31 -38.86 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.1 m-85 -74.43 -24.87 59.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -39.57 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.4 57.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -149.78 65.62 7.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.622 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.93 -31.15 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.4 m-20 -92.3 -60.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.85 122.82 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.9 p90 -162.05 -175.36 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.3 t -127.87 145.16 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.29 171.01 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.53 29.73 71.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -87.61 164.04 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.54 42.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.53 138.6 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 70.08 28.99 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.25 110.12 4.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 45.5 t80 -119.6 96.23 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.01 170.66 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.86 158.15 1.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -25.53 11.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -67.59 -9.26 41.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.83 -55.86 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 108.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.2 m-85 -39.24 139.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.07 -179.9 12.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.52 -48.98 54.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt85 -57.13 -49.37 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.6 mt -47.82 -69.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -42.37 -58.14 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' GLU . 33.5 mtpt -39.18 -50.04 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 79.9 mt -62.45 -46.32 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.564 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.6 -39.64 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -60.65 -31.46 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 m -111.09 14.61 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -76.74 2.14 60.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.31 -9.89 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -115.01 -15.46 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -46.59 156.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -147.64 148.58 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -122.96 111.92 17.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -94.96 125.07 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.508 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -108.13 72.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.611 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.9 mmpt? -54.38 -45.17 72.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -136.25 91.98 16.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.95 -30.48 7.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.4 pt-20 -43.83 -46.95 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -44.79 -41.21 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.94 -39.42 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.4 m 60.47 146.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -67.33 113.39 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.33 145.02 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -112.7 153.52 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 91' ' ' THR . 5.5 t -174.11 59.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.16 104.5 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 m -88.75 170.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 t -123.35 118.19 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.42 -179.03 9.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.32 33.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 m -122.3 87.35 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 t -112.32 121.65 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.1 107.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -142.36 -52.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.87 65.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.85 145.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 0.8 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.59 -65.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -171.56 124.19 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.577 HD23 HD12 ' A' ' 70' ' ' ILE . 13.1 mt -37.66 -63.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -37.95 -61.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -59.18 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.0 mtm -48.51 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.0 t -43.84 -47.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -51.16 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -64.14 -43.6 94.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.1 -62.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.1 m-85 -58.67 -41.18 85.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -53.19 -52.38 59.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -61.03 -69.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -40.83 -55.26 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.3 t80 -49.81 -45.48 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.89 -49.65 75.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -40.34 -58.06 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.04 -37.54 71.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 81.0 mt -72.88 -17.5 61.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.24 52.58 21.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.75 164.38 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -91.56 -49.74 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.54 167.57 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.31 154.94 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -135.34 169.27 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.55 124.13 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 20' ' ' PHE . 55.4 t -72.13 114.3 28.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.98 80.37 2.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -49.87 -21.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.17 -50.71 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -56.94 -28.13 61.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.0 m-85 -86.36 -25.94 25.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -35.39 38.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.77 45.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -151.93 65.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.36 15.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.74 -22.62 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 30.6 m-20 -99.42 -59.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.93 118.12 36.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.1 p90 -158.07 -174.87 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 77' ' ' LYS . 54.1 t -129.17 139.61 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -113.01 169.52 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.58 29.56 72.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.15 163.87 35.5 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.542 0.79 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.78 41.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.85 139.92 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.16 29.1 3.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.82 110.58 4.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.99 2.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 21.5 t80 -108.52 90.22 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.75 174.56 9.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 162.46 5.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -22.26 14.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -7.36 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -103.73 -53.53 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.62 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.0 m-85 -42.87 135.7 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.28 -179.73 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.0 -48.7 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -33.0 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.2 mtt180 -56.96 -53.71 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.615 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.3 mt -43.89 -64.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.3 mt-10 -47.11 -58.28 4.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mtpm? -39.74 -49.69 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 61' ' ' TYR . 81.5 mt -63.66 -46.73 93.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.577 HD12 HD23 ' A' ' 8' ' ' LEU . 4.1 mt -55.63 -39.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.63 -40.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.41 15.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -74.61 -0.22 58.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.5 -14.27 20.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.39 -8.53 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.7 mt -55.47 155.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 13.8 ttpt -147.64 150.56 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 5.8 m-85 -126.31 111.03 14.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.617 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.0 t -95.3 124.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.54 71.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.617 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.8 mmpt? -53.21 -44.21 67.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt180 -136.74 91.84 15.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 -31.13 6.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -48.36 -40.84 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 82' ' ' ARG . 52.6 mt -47.43 -36.83 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.69 -43.17 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m 62.38 126.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -64.78 147.2 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.9 t -135.55 102.32 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 t -70.62 137.1 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.6 m -148.25 -57.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 39.8 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.6 p -101.51 114.47 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.93 148.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 161.99 120.03 0.52 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.19 21.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 m -125.57 148.96 48.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.009 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 138.8 54.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -111.75 -56.2 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.3 105.35 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.71 135.53 45.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m 62.95 110.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.036 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.32 -70.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -167.68 123.19 1.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.7 mt -37.86 -61.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -42.47 -46.79 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -65.87 -59.3 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.0 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 66' ' ' LEU . 16.5 t -48.78 -40.79 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -67.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -47.02 -43.21 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -46.45 -64.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.0 m-85 -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.12 -49.09 69.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -63.98 -66.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -43.11 -48.35 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 28.3 t80 -56.39 -43.1 78.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -65.29 -42.02 93.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.91 -57.98 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.52 -40.85 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 83.2 mt -69.9 -15.82 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.78 58.29 4.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.601 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 16.5 t -130.85 157.05 43.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -88.09 -54.57 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 167.48 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.66 154.5 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -134.41 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.17 123.3 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG22 ' CG ' ' A' ' 20' ' ' PHE . 80.7 t -77.42 115.09 46.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 73.77 4.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -47.04 -25.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.0 -51.53 31.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.95 -30.1 45.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.2 m-85 -81.45 -26.68 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -40.54 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.62 -13.29 56.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 75.2 m-70 -151.84 64.23 5.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 -27.02 10.43 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -73.22 -19.45 61.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -104.86 -55.84 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.94 115.91 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.0 p90 -154.96 -170.57 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 77' ' ' LYS . 80.9 t -133.16 140.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.36 167.49 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 29.77 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.94 164.17 45.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.04 30.92 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.09 140.43 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.71 28.93 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.59 110.8 4.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.6 t80 -117.31 92.2 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -127.04 -171.21 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.85 160.92 80.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -19.24 18.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.9 m -75.22 -7.35 53.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.32 -52.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -41.75 136.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.38 -179.75 6.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -65.99 -49.37 57.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 8.3 mtt180 -56.71 -50.8 71.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -47.17 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -43.87 -57.0 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.1 mttp -39.24 -54.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 61' ' ' TYR . 84.9 mt -58.42 -46.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.8 mt -56.66 -41.46 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.06 -36.88 71.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 m -107.2 15.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.09 0.13 59.51 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.97 -14.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 3.7 ptm85 -111.91 -9.37 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.445 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -50.56 155.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.628 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.46 147.59 30.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.0 m-85 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.619 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.8 t -97.15 128.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.539 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -109.59 72.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -53.2 -45.19 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -136.11 91.44 17.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.98 -21.13 16.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.09 -39.96 72.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 mt -50.34 -23.54 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.7 mt -85.09 -45.05 12.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.8 m -47.1 96.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -146.89 170.98 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.523 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.6 m -71.61 106.03 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.9 m -152.04 133.4 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -107.1 156.25 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.0 124.66 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.8 147.91 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 t -149.2 124.1 9.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.61 155.66 16.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.9 m -54.56 151.53 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.02 152.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.16 152.03 47.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.999 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -127.05 -57.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.07 169.94 20.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.94 -53.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -170.76 118.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 147.82 156.33 6.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.0 mt -36.99 -64.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 65.3 mtm180 -36.99 -62.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -53.9 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -58.42 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD2' ' A' ' 66' ' ' LEU . 23.7 t -55.15 -42.46 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.07 -41.76 79.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -73.35 -47.41 42.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.07 -62.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.2 m-85 -57.48 -48.38 79.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.1 m -47.12 -39.76 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 108.288 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -72.58 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -44.28 -33.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 10.5 t80 -66.42 -55.16 17.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.84 -42.68 72.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.77 -63.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.32 -33.27 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 82.5 mt -84.63 7.55 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 60.1 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.781 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 6.1 t -126.0 152.85 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 m -85.46 -52.01 6.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 166.6 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.94 155.77 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.41 170.18 16.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.26 136.39 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.4 HG22 ' CG ' ' A' ' 20' ' ' PHE . 86.5 t -84.44 114.1 52.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.02 74.39 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -45.43 -24.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -52.89 37.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 85' ' ' LEU . 60.7 mmtt -55.17 -36.17 65.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.6 m-85 -77.76 -24.93 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -39.46 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.66 -9.81 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 68.1 m-70 -152.28 64.8 5.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.01 -20.4 16.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.7 -29.56 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 28.6 m-20 -94.62 -60.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.83 118.26 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -157.83 -173.82 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 55' ' ' PHE . 75.4 t -130.37 139.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -111.91 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.2 29.66 73.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.45 164.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.48 36.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.17 141.92 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 29.27 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -144.96 110.61 4.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.597 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 44.7 t80 -120.13 94.76 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -132.5 -176.65 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 157.94 58.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.95 -21.6 15.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.7 p -72.19 -7.2 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -103.47 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.1 m-85 -40.29 140.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.39 176.72 22.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.62 -48.8 73.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.2 mtt180 -58.74 -52.11 67.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 37.8 mt -45.49 -69.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -42.41 -56.91 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.7 mttp -39.08 -55.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 73' ' ' GLY . 83.6 mt -57.55 -45.39 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.4 mt -57.75 -41.48 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -60.47 -26.88 67.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.88 16.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.93 4.92 59.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -100.1 -13.29 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -112.62 -13.83 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 69' ' ' ILE . 7.6 mt -46.29 155.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.6 tmmm? -147.62 143.41 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.41 112.57 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.4 t -95.05 126.17 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.4 mm -107.83 71.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.606 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.2 mmpt? -52.21 -45.11 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.9 mtt180 -140.62 94.74 8.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 -27.21 10.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 pt-20 -46.58 -48.02 19.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.3 mt -45.91 -34.26 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 mt -69.61 -41.86 75.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.9 m 63.14 104.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.08 149.01 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.32 101.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m 61.72 111.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -146.75 156.7 43.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -170.7 84.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.68 170.83 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.16 109.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.0 176.93 16.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.08 13.88 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.7 t -172.31 155.22 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 p 52.45 178.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 64.22 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.48 123.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.78 65.34 0.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -168.98 100.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.08 175.33 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -52.87 121.1 14.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 70' ' ' ILE . 12.5 mt -37.38 -63.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -37.6 -62.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -55.74 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.6 mtm -52.17 -62.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.0 t -48.27 -44.96 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.46 -42.17 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -73.65 -45.8 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -42.29 -63.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.8 m-85 -56.38 -47.68 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 34.7 m -46.86 -57.97 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 tptt -53.08 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 41.3 mmtt -39.86 -55.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 32' ' ' VAL . 15.2 t80 -47.73 -50.17 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.69 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -45.57 -59.97 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.07 -29.63 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 98.7 mt -85.2 5.3 30.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.3 56.45 7.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.87 164.22 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.62 -49.17 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -90.82 167.92 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.79 159.47 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 18.8 mtpt -141.4 169.03 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.43 140.73 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 20' ' ' PHE . 90.1 t -88.91 113.63 56.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -41.66 -27.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -65.94 -56.14 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -49.58 -38.14 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.26 -29.71 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.42 -37.06 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.51 -12.81 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 88.8 m-70 -149.76 64.34 6.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.536 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -21.94 15.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -79.07 -28.62 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 68.8 m-20 -97.06 -56.75 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -99.78 119.72 38.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -162.91 -174.43 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG2' ' CE2' ' A' ' 78' ' ' PHE . 10.2 t -126.13 154.38 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.66 168.41 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 29.87 75.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -86.08 163.97 40.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.61 41.22 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.22 142.7 50.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 66.84 29.13 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.12 110.19 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.2 t80 -118.17 95.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -133.53 -175.71 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 160.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 -24.3 12.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -68.08 -8.6 39.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 23.3 m95 -101.7 -58.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.64 137.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.31 -179.9 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.05 -49.04 58.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.3 mtt180 -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.577 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.1 mt -46.6 -63.13 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.4 mt-10 -48.03 -57.53 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mttt -39.71 -48.68 2.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 61' ' ' TYR . 79.7 mt -64.45 -46.54 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.91 -39.17 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.76 -37.05 80.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 m -104.54 14.07 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.08 -0.23 60.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -98.65 -9.67 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -115.42 -13.21 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -49.4 155.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -147.77 147.13 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CE2' ' CG2' ' A' ' 46' ' ' VAL . 7.8 m-85 -123.87 115.07 20.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.592 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.4 t -97.09 126.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -108.35 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.592 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -52.72 -45.83 67.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.6 mtt180 -136.38 92.49 15.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.522 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -75.01 -32.93 4.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.1 pt-20 -42.94 -45.56 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 82' ' ' ARG . 11.9 mt -45.13 -45.35 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.99 -38.66 83.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 16.0 m 59.7 85.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -56.77 133.5 54.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 91.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.8 p -86.73 169.46 12.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m 38.84 87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -105.53 12.5 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.0 p -165.68 148.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -57.6 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.9 160.78 9.19 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.4 m -156.84 134.27 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 p -161.43 156.28 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 p -142.62 143.61 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.31 85.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.59 151.21 6.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 170.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -89.4 133.04 34.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -175.13 125.34 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.9 mt -37.61 -64.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -37.56 -56.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -58.85 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.7 mtm -46.99 -58.63 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.3 t -53.71 -35.31 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.82 -54.66 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -41.67 -62.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 23.7 m-85 -58.35 -51.52 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -43.72 -41.28 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -71.33 -64.05 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -43.7 -39.47 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 7.5 t80 -59.33 -54.31 48.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.68 -42.71 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -48.26 -63.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.11 -32.15 67.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.5 mt -84.17 6.63 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 50.1 59.77 7.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.723 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.9 t -130.98 154.86 47.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -88.68 -53.36 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.17 167.94 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.14 157.37 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -141.55 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 136.13 33.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.1 t -84.12 114.18 52.79 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 71.54 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -42.93 -26.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -48.71 -38.72 22.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.77 -32.28 65.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -37.64 59.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.53 -11.95 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -146.37 65.28 10.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.17 18.14 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -83.26 -37.37 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -86.79 -61.86 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 86' ' ' LEU . 12.9 mt -97.38 118.67 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.7 p90 -159.6 -169.68 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG12 ' HG ' ' A' ' 49' ' ' LEU . 25.8 t -129.35 155.22 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.43 164.97 20.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.97 29.82 75.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -83.34 164.25 46.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 145.65 31.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.87 144.5 57.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.73 29.39 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.57 110.8 4.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.662 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.2 t80 -121.27 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 -175.12 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 156.7 76.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.03 -11.24 21.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 p -81.08 -8.19 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -103.54 -53.11 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.3 m-85 -39.35 139.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.42 176.36 19.06 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -64.29 -49.53 72.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -31.14 6.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 17.0 mtt-85 -58.61 -51.28 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 8' ' ' LEU . 31.5 mt -47.54 -68.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.98 -56.62 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' GLU . 12.2 mtpt -40.26 -56.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 97.6 mt -55.07 -44.66 75.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.7 mt -58.4 -41.31 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -61.29 -26.77 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 29.7 m -111.76 10.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.92 -5.35 52.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.28 -10.13 33.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -115.06 -12.19 11.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -50.62 152.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -147.63 143.38 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.2 m-85 -119.88 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 70.9 t -100.62 127.32 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.575 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -109.86 74.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -58.18 -40.57 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 44' ' ' LEU . 38.7 mtt180 -138.14 90.31 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.489 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.861 ' HA ' HG22 ' A' ' 87' ' ' THR . 8.6 pt-20 -42.45 -51.26 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mt -45.11 -40.35 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 44' ' ' LEU . 12.9 mt -70.08 -45.6 66.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.861 HG22 ' HA ' ' A' ' 84' ' ' GLU . 12.0 t -90.52 43.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -159.22 61.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.584 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -166.81 -69.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -54.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m 60.04 78.28 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.11 134.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 93' ' ' VAL . 5.1 p -111.14 120.08 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 89.23 3.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.76 112.35 4.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 174.77 12.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 t -125.57 -60.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t 44.63 80.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.021 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.59 87.55 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.994 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -177.56 81.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.66 77.42 0.16 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 p -83.86 118.54 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.04 129.17 29.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 160.53 93.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.9 mt -38.24 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -38.69 -61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -58.06 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 mtm -47.72 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.606 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.5 t -45.05 -43.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -69.48 -45.3 69.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -44.62 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.1 m-85 -58.02 -52.65 64.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 52.4 m -44.02 -35.49 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -77.05 -70.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -42.31 -28.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.8 t80 -70.98 -51.4 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -57.45 -40.62 78.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -49.6 -63.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.45 -31.92 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 94.7 mt -84.52 7.28 20.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.52 58.91 6.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.589 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.6 t -129.22 152.27 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.73 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -85.23 -53.41 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.68 166.4 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.26 158.82 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 41.5 mtmt -141.91 170.74 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.63 131.63 36.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 20' ' ' PHE . 46.9 t -80.42 114.41 47.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.93 76.16 3.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.83 -24.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.45 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -51.8 -36.96 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.4 m-85 -77.01 -25.97 53.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -37.49 39.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.59 42.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 85' ' ' LEU . 58.9 m-70 -147.27 64.61 8.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.96 -21.73 15.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -24.42 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.63 -60.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD13 HD21 ' A' ' 86' ' ' LEU . 11.8 mt -101.07 118.08 36.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.6 p90 -159.45 -167.37 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' HG ' ' A' ' 49' ' ' LEU . 11.7 t -131.0 154.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -125.98 164.45 20.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 29.5 71.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -84.77 164.02 44.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.96 140.11 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 53' ' ' ILE . 27.7 m-80 70.23 28.49 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 52' ' ' ASN . 3.9 mt -146.24 110.01 4.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 40.1 t80 -117.86 94.73 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.7 175.51 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.54 161.86 3.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -30.29 7.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -59.88 -15.35 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 72.7 m95 -94.18 -60.13 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.59 137.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.21 -179.88 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.75 -48.5 63.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 26.8 mtt180 -55.9 -53.11 60.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 27.5 mt -44.63 -65.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.1 mt-10 -44.44 -57.91 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -40.98 -49.08 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 61' ' ' TYR . 94.2 mt -63.45 -45.7 97.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.93 -40.32 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.16 -36.85 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 m -103.77 10.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -73.17 -2.33 58.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.3 -11.54 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -114.2 -17.54 11.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.404 HD11 HG23 ' A' ' 69' ' ' ILE . 5.9 mt -44.29 154.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.9 ttpm? -147.29 145.15 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 9.1 m-85 -119.86 114.31 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.578 HG12 ' HG2' ' A' ' 81' ' ' LYS . 96.4 t -96.16 128.15 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -109.36 73.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.21 -42.74 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.0 mtt85 -135.15 90.36 21.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -27.87 9.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.55 -44.17 17.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 40' ' ' HIS . 33.5 mt -48.11 -49.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.62 HD21 HD13 ' A' ' 44' ' ' LEU . 11.4 mt -64.28 -41.12 97.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.4 m -60.95 126.26 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.02 173.93 8.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.7 p -175.15 159.52 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 91' ' ' THR . 77.0 p -141.68 88.33 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 91' ' ' THR . 6.2 t 32.54 54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -59.58 -51.78 68.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 93' ' ' VAL . 1.5 p 34.96 42.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.81 159.81 14.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.62 171.7 29.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 78.68 2.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.99 140.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.2 93.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -123.6 139.77 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.14 -55.84 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.1 79.33 0.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.52 152.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -56.41 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 50.45 59.85 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.3 mt -37.68 -62.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -37.34 -61.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -58.18 7.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.8 mtm -47.36 -62.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 66' ' ' LEU . 19.5 t -48.97 -50.48 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.91 -45.81 51.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -69.66 -46.67 65.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.25 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 12' ' ' VAL . 22.0 m-85 -54.95 -49.66 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.9 m -47.77 -60.07 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 6.2 tptp -49.54 -70.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -41.16 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 1.094 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.3 t80 -46.85 -42.49 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.14 -43.78 98.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.67 -54.7 25.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.2 -26.7 67.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.094 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 91.5 mt -85.14 -14.03 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.34 55.22 22.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.06 156.98 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m -86.02 -46.38 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.71 168.1 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.32 146.85 26.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -130.39 166.39 20.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.66 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG22 ' CD2' ' A' ' 20' ' ' PHE . 83.9 t -83.55 114.29 52.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.97 3.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -44.74 -25.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.66 -57.45 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -49.85 -37.58 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -74.49 -28.21 60.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.36 44.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.95 -11.66 52.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' CD2' HD13 ' A' ' 85' ' ' LEU . 79.9 m-70 -149.14 64.14 7.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.98 -16.86 20.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -80.73 -38.84 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 43.4 m-20 -92.26 -55.04 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' HIS . 90.2 mt -97.46 117.47 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.2 p90 -166.08 -172.43 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.69 153.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -127.5 170.17 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.54 29.68 75.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.98 164.19 42.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.99 139.92 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 69.35 29.01 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -145.18 110.41 4.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -167.75 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.7 t80 -114.01 92.56 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.71 174.77 9.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.76 165.07 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.96 -27.27 10.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -61.97 -25.83 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.1 m95 -83.3 -60.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.633 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.0 m-85 -37.59 134.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.71 -179.36 6.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.25 -48.46 68.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.06 -34.74 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 11.1 mtt-85 -55.22 -50.19 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.583 ' CD2' HG21 ' A' ' 12' ' ' VAL . 27.0 mt -46.71 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.05 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 6.4 mtpt -39.69 -52.77 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.633 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.6 mt -59.91 -46.08 94.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 8' ' ' LEU . 5.4 mt -55.75 -38.41 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.06 -34.89 75.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 35.4 m -104.63 9.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.36 -6.81 49.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -96.02 -11.1 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 6.6 ptp180 -111.6 -18.34 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 69' ' ' ILE . 7.3 mt -46.65 155.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.4 147.49 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 3.8 m-85 -121.88 118.82 29.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.516 HG11 ' OH ' ' A' ' 45' ' ' TYR . 96.8 t -103.64 115.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.597 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -101.48 73.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.7 mttt -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.717 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.0 mtt180 -139.2 87.43 13.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.74 -40.72 29.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 82' ' ' ARG . 42.5 mt -45.58 -34.96 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.81 -45.58 57.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 90.7 m -53.6 109.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 -58.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.48 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.2 p 40.04 -140.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.6 t -131.72 163.02 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -153.22 169.96 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -73.1 128.8 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.56 103.39 13.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.64 -165.5 3.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -86.08 151.96 23.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.7 p -156.39 125.46 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.1 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -37.27 -56.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -60.58 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -57.29 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' CD2' ' A' ' 66' ' ' LEU . 39.6 t -51.75 -52.14 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -47.57 -51.41 21.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.76 -49.01 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.49 -62.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.52 -53.32 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -42.65 -51.17 5.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -60.33 -69.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -40.19 -57.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 17.6 t80 -46.5 -42.15 15.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -64.0 -51.5 63.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.07 -59.73 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -54.72 -41.69 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 mt -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.07 53.52 6.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 159.03 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.71 -44.32 9.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 157.52 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -141.06 171.12 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.74 126.23 36.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 20' ' ' PHE . 89.4 t -73.58 114.05 28.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.95 74.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -46.55 -24.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.14 -56.89 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.37 -39.08 56.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.13 -24.13 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -43.91 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.01 -12.24 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.1 m-70 -148.25 64.68 8.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -75.01 -22.46 14.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.63 -26.47 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -99.34 -58.24 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -99.25 117.28 33.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.1 p90 -158.08 -172.01 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 77' ' ' LYS . 5.6 t -129.0 155.09 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -128.87 164.0 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.1 29.86 70.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -85.36 164.07 42.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.0 34.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.24 145.15 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.79 29.56 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.89 112.36 5.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 35.0 t80 -116.69 94.76 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -134.79 -178.59 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.8 159.52 25.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -23.27 13.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -70.4 -6.32 34.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -103.89 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.51 139.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.43 174.82 22.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -63.29 -48.75 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.99 -32.22 5.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt180 -57.51 -52.79 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.716 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.9 mt -44.74 -68.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -42.18 -59.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.0 mtpt -39.98 -49.49 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' A' ' 61' ' ' TYR . 92.0 mt -62.07 -46.9 95.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 4.9 mt -55.6 -40.86 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.72 -39.52 81.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 29.5 m -99.66 9.83 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.59 -6.76 51.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -95.13 -11.35 28.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.5 ptp180 -113.05 -9.34 13.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -55.7 154.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 46' ' ' VAL . 50.5 tttt -147.36 147.87 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.7 m-85 -124.65 120.81 32.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 73.6 t -102.86 130.41 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -113.04 72.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.456 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.54 -39.8 68.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -141.96 93.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -25.95 11.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.8 -36.56 48.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.0 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -38.12 -60.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -57.38 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.9 mtm -48.8 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.5 t -46.79 -46.86 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.78 -63.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -51.88 -47.47 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 tp -42.93 -62.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 22.0 m-85 -57.65 -42.74 84.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.564 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 51.6 m -52.53 -51.58 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.09 -69.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -41.19 -48.82 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.9 t80 -54.62 -47.19 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -62.63 -46.49 88.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -42.83 -57.93 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.66 -39.46 73.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 76.8 mt -70.48 -18.58 62.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 78.31 51.06 5.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.539 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 9.2 t -125.42 164.89 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -95.02 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.05 168.06 19.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 17' ' ' CYS . . . -77.02 153.43 34.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -129.56 164.37 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.17 110.61 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.491 HG22 ' CG ' ' A' ' 20' ' ' PHE . 47.3 t -65.17 112.46 8.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.97 71.56 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -43.15 -26.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' GLU . 55.6 mt-30 -67.42 -58.83 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -50.0 -33.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -79.82 -25.54 40.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -81.04 -37.94 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.14 -10.8 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 46.9 m-70 -149.82 64.22 6.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.02 -21.71 15.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.01 -21.62 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 44.9 m-20 -105.12 -57.66 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -100.08 115.97 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -161.87 -170.73 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' A' ' 49' ' ' LEU . 7.1 t -126.51 156.71 37.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 164.67 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.32 29.77 71.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -84.77 164.1 43.64 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.44 38.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.92 139.66 55.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.98 28.92 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -145.41 110.55 4.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 37.4 t80 -119.81 96.59 5.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -136.26 -175.42 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.64 159.87 64.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -22.78 14.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.7 p -69.8 -7.06 36.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -103.39 -56.32 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.9 m-85 -39.35 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.96 176.53 21.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -63.82 -48.5 79.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -33.06 4.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 23.7 mtt180 -56.82 -52.96 63.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.5 mt -45.15 -70.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -39.29 -59.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -40.45 -52.35 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' TYR . 86.4 mt -59.15 -46.9 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HD23 ' A' ' 8' ' ' LEU . 4.5 mt -55.52 -40.48 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.56 -31.51 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.48 10.36 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.82 -3.54 55.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -95.98 -10.75 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -19.94 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 6.9 mt -43.44 154.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.64 145.14 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -120.25 112.82 19.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 85.8 t -97.76 125.11 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.523 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.37 72.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.1 mmpt? -52.1 -46.75 65.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB2' HD12 ' A' ' 85' ' ' LEU . 67.1 mtt-85 -135.55 92.01 17.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.97 -32.0 5.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -43.58 -49.16 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.5 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.3 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -37.85 -59.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -57.85 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.0 mtm -48.92 -60.89 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 66' ' ' LEU . 54.4 t -48.39 -48.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.79 -45.63 63.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -69.12 -47.4 65.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.04 -62.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.42 -43.3 83.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.37 -51.46 58.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -60.67 -69.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -41.15 -55.74 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.826 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.6 t80 -50.04 -42.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.08 -45.02 87.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -46.6 -54.66 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.39 -30.07 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.826 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.3 mt -81.53 -12.38 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.74 54.99 31.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.15 159.91 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -90.05 -46.02 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.39 154.52 21.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.68 157.67 31.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -140.6 171.82 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.6 123.46 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.69 HG22 ' CD2' ' A' ' 20' ' ' PHE . 47.2 t -70.05 113.62 19.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.02 77.38 3.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -50.4 -21.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -67.38 -57.81 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 19.7 mmtm -54.56 -36.3 64.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.93 -22.49 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -44.11 14.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.72 -11.58 59.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 15.6 m-70 -147.21 64.98 9.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -18.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.61 -37.17 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -93.22 -57.64 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 47.6 mt -96.28 120.51 36.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.7 p90 -167.85 -170.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 49' ' ' LEU . 18.8 t -128.69 153.21 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 165.63 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 30.19 73.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.61 164.19 41.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.98 42.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.03 139.47 41.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.52 29.22 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.69 112.29 4.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -163.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 25.4 t80 -121.39 96.0 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 -179.72 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.22 159.44 22.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -23.02 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -68.91 -7.92 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -102.73 -56.89 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.09 138.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.53 -179.88 11.26 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -66.58 -49.05 53.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -31.79 5.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.4 mtt-85 -57.9 -52.59 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -45.73 -65.88 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -44.61 -57.27 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 34.7 mtpt -39.61 -51.94 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 71.4 mt -60.89 -47.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.08 -40.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -57.96 -40.74 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.74 19.0 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -79.24 5.24 60.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.98 -15.71 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -108.66 -13.3 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -46.87 155.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 147.12 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.1 m-85 -122.56 119.0 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 97.7 t -101.91 121.87 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -106.93 74.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 11.6 mttt -64.39 -22.36 66.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.3 mtp180 -156.63 89.86 2.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.582 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.04 -31.54 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.47 -43.18 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 17.7 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 70' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 27.3 mtm-85 -36.46 -58.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -61.8 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 36.3 mtp -47.46 -57.05 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG21 ' CD2' ' A' ' 66' ' ' LEU . 68.1 t -52.1 -53.23 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.49 -46.69 38.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.77 -46.48 71.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -44.4 -62.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.0 m-85 -57.51 -53.31 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.2 m -43.92 -40.86 4.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -71.02 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -41.04 -33.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.0 t80 -65.55 -52.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -55.9 -42.04 75.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.08 -62.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.7 -35.41 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 93.9 mt -80.2 2.14 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 52.6 60.06 8.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.637 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 5.2 t -128.54 159.57 35.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -91.58 -50.39 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -80.57 166.79 20.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 156.88 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -135.52 169.13 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.27 121.43 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 20' ' ' PHE . 99.4 t -71.51 113.75 22.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.0 72.5 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -42.95 -26.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 8.9 mm100 -68.94 -50.81 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.8 m-85 -75.81 -26.77 57.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -40.15 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.96 -15.44 51.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CD2' HD13 ' A' ' 85' ' ' LEU . 52.0 m-70 -145.79 65.41 11.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.62 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.07 14.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.7 -20.67 35.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -101.47 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 82' ' ' ARG . 17.8 mt -101.35 117.72 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.8 p90 -159.99 -171.25 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 77' ' ' LYS . 4.7 t -128.87 153.99 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.4 166.47 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.34 29.82 71.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.89 164.13 40.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.69 42.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.553 1.818 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.52 144.55 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 64.15 28.8 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.51 108.63 4.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.755 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 43.4 t80 -117.95 93.78 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -128.92 -172.52 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.79 157.78 89.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -10.15 21.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -7.85 59.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -103.47 -50.09 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -44.15 137.37 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.81 -179.98 9.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -48.87 58.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.87 5.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.8 mtt-85 -56.68 -51.47 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.696 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.4 mt -46.55 -66.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -43.96 -56.89 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 13.1 mtpt -40.03 -54.72 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 61' ' ' TYR . 95.8 mt -59.8 -45.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.674 HD12 ' CD2' ' A' ' 8' ' ' LEU . 7.4 mt -56.36 -39.62 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.0 -34.06 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.36 11.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.91 -3.36 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -10.48 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.7 -15.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -47.78 154.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 46' ' ' VAL . 37.3 ttpt -147.47 147.46 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.15 114.43 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.636 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.5 t -97.66 125.03 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.2 mm -107.76 73.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -56.7 -43.44 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.8 mtt180 -135.06 90.03 22.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -48.23 -44.78 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.7 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -38.2 -59.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtm -49.51 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 ' CD2' ' A' ' 66' ' ' LEU . 17.7 t -44.51 -45.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -50.06 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -65.17 -44.46 88.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.77 -64.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.1 m-85 -57.23 -42.84 82.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 m -49.4 -52.21 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 108.356 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.2 tttt -61.46 -67.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -40.26 -57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 27.6 t80 -48.78 -41.34 32.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.74 -42.97 90.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -48.79 -59.6 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.585 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.29 -38.42 68.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 79.7 mt -71.46 -20.66 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.21 52.32 8.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.23 162.24 21.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -91.53 -47.73 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.5 167.7 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.37 149.06 25.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -128.81 168.6 15.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.47 119.28 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 20' ' ' PHE . 91.3 t -66.72 114.18 16.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 69.98 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -46.34 -24.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -52.61 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 29.4 mmtm -55.8 -38.66 70.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.6 m-85 -71.73 -26.32 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.8 -44.02 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.71 -15.08 58.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.9 66.06 12.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.96 13.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.92 -28.27 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 27.7 m-20 -96.74 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.75 119.1 36.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -157.91 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 55' ' ' PHE . 26.3 t -129.4 153.23 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -127.26 167.48 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.24 29.72 73.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.28 163.85 38.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 151.64 40.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.02 142.26 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 t30 67.97 29.21 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.94 112.69 4.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 39.4 t80 -114.59 94.04 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.55 -175.72 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 160.84 53.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.98 -21.53 15.8 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -70.86 -6.24 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -103.9 -57.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.627 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.63 136.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.71 -179.77 9.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -66.21 -48.66 58.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -32.9 4.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.1 mtt180 -56.97 -52.88 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.616 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -45.19 -64.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.9 mt-10 -45.92 -58.93 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 8.0 mttp -39.99 -49.68 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.9 mt -62.49 -47.36 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 8' ' ' LEU . 4.7 mt -55.19 -40.06 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.14 -39.82 79.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 27.9 m -100.95 10.36 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.43 -7.51 52.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -95.24 -11.36 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -111.97 -11.65 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -53.55 154.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.48 147.36 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 6.9 m-85 -122.57 119.84 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 89.3 t -103.68 123.68 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.585 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.0 mm -105.8 72.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.3 mmpt? -55.31 -42.78 74.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -138.61 91.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 -27.5 9.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -49.37 -40.12 34.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.418 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 27.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.3 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.8 mtm-85 -38.01 -60.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -54.61 29.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 mtm -53.23 -61.41 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.5 t -48.27 -45.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -45.61 76.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.74 -44.95 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -46.36 -64.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 19.2 m-85 -53.44 -47.0 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -46.22 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.16 -69.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -39.99 -60.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 1.089 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.9 t80 -47.5 -43.25 24.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.14 -44.24 97.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -47.91 -55.76 9.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -59.28 -37.63 78.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.089 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.9 mt -74.34 -13.25 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 62.34 58.47 12.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 153.66 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -81.41 -46.28 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -89.53 163.45 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.96 154.74 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -134.18 168.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.58 118.01 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 20' ' ' PHE . 70.4 t -64.25 112.97 8.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.94 72.57 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -46.59 -24.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.68 -54.59 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 24.1 mmtm -55.51 -32.64 63.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 5.7 m-85 -78.25 -25.02 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -41.22 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.47 -17.85 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 45.4 m-70 -144.34 64.8 12.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -20.16 17.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.42 -22.98 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 72.7 m-20 -102.42 -53.7 2.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.4 115.96 31.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.8 p90 -159.51 -170.39 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 6.3 t -126.36 156.39 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.34 164.49 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.44 29.75 71.54 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -86.1 164.03 40.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.38 140.64 50.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 69.5 29.38 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.66 110.8 4.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.8 t80 -115.88 94.19 4.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -132.12 -174.21 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 158.05 73.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -10.68 21.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 p -81.69 -6.55 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -104.17 -52.01 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -41.42 137.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.11 176.58 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.35 -48.52 75.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -74.96 -30.85 6.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 25.1 mtt180 -58.99 -54.13 50.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.4 mt -43.84 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -38.95 -59.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 5.8 mtpm? -39.68 -52.01 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 61' ' ' TYR . 88.8 mt -59.82 -46.78 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.8 -41.89 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -57.04 -40.72 77.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.8 m -104.34 18.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -80.33 6.38 60.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -100.28 -14.71 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -110.63 -15.63 13.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -43.64 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.3 tttt -147.75 148.65 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.0 m-85 -123.96 115.94 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.3 t -99.71 125.78 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.544 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -107.85 72.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.586 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.4 mmpt? -52.91 -46.51 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB2' HD12 ' A' ' 85' ' ' LEU . 27.5 mtt85 -135.46 91.6 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -28.99 8.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -46.6 -46.4 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 82' ' ' ARG . 8.2 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.082 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.0 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -38.12 -55.79 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -60.55 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -47.35 -58.39 4.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 66' ' ' LEU . 37.9 t -49.56 -51.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -55.37 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.39 -43.7 96.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.75 -65.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.9 m-85 -54.43 -43.6 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -52.6 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -48.53 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -41.5 -58.06 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.4 t80 -48.01 -42.32 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.53 -42.39 99.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.17 -51.16 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -64.81 -25.8 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.0 mt -87.13 -9.93 54.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 60.24 55.12 31.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.54 154.92 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.4 p -82.34 -48.67 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.57 166.9 14.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.07 158.48 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.16 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.28 133.39 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.2 t -79.56 114.4 45.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 80.23 2.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 27.3 m-85 -47.6 -23.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -67.71 -61.07 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -47.41 -37.76 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.672 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.2 m-85 -74.22 -31.42 62.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -75.74 -40.54 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.42 -16.39 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CD2' HD13 ' A' ' 85' ' ' LEU . 60.3 m-70 -145.31 64.01 10.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -16.69 20.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -40.03 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -91.51 -55.43 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 79.4 mt -96.5 118.27 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.5 p90 -167.09 -175.5 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 t -124.16 154.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -127.61 168.32 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.71 74.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -84.91 164.16 43.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.0 42.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.53 139.14 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 69.47 28.83 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.39 109.54 4.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.88 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.9 t80 -112.14 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -125.4 -174.02 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -72.66 162.45 74.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -24.62 12.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -70.69 -6.13 34.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -104.06 -57.59 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.9 m-85 -38.76 138.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.54 179.16 12.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -65.16 -48.49 69.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -34.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.8 mtt180 -55.26 -51.93 65.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.0 mt -46.11 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -39.51 -59.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 3.6 mttp -39.65 -52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 66.1 mt -59.66 -48.01 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 8' ' ' LEU . 3.5 mt -55.07 -41.66 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.71 -38.78 75.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.52 12.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -72.74 -2.52 56.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -98.22 -10.82 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -112.26 -13.71 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 mt -50.18 155.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.57 147.44 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.6 m-85 -121.92 116.66 24.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 81' ' ' LYS . 97.0 t -100.45 118.98 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -104.6 73.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.0 mttt -62.11 -33.44 74.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.674 ' HB2' HD12 ' A' ' 85' ' ' LEU . 68.2 mtt180 -142.96 89.27 7.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.5 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -36.64 2.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.18 -41.56 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 82' ' ' ARG . 38.7 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.775 ' CD2' HD12 ' A' ' 70' ' ' ILE . 17.4 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' LEU . 41.1 mtm180 -37.3 -53.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.9 mtp -42.69 -57.85 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 66' ' ' LEU . 48.8 t -50.84 -54.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -46.22 -52.09 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -62.68 -47.43 83.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tp -42.43 -62.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.9 m-85 -58.62 -42.18 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.2 m -50.77 -53.03 35.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -61.12 -68.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -40.4 -57.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.2 t80 -48.53 -42.82 34.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -63.83 -48.67 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -41.38 -58.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.98 -34.89 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.726 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 84.1 mt -74.77 -20.48 59.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.1 49.49 21.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.76 163.54 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -92.08 -49.04 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.93 167.88 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.59 152.06 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -132.29 166.67 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.4 119.43 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 20' ' ' PHE . 78.1 t -65.66 114.26 15.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.98 70.44 5.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -40.75 -28.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -65.08 -55.25 19.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -49.86 -37.57 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.2 m-85 -75.76 -22.47 56.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -80.15 -44.7 19.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -7.24 59.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -153.0 64.82 5.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 -21.08 16.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.87 -31.36 31.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 8.4 m-20 -90.48 -59.39 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.01 115.86 29.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -154.43 -171.17 3.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 7.5 t -130.15 155.38 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.91 164.6 21.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.41 30.39 71.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -85.94 163.95 41.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.93 43.05 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.55 138.96 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t30 69.88 29.41 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -145.24 112.76 4.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 30.7 t80 -119.15 96.22 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -139.1 171.24 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 160.17 0.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.02 -27.56 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -13.11 27.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.9 m95 -96.42 -58.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 108.025 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.618 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.9 m-85 -37.45 137.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.58 -179.86 11.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -66.24 -48.47 58.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 18.7 mtt180 -57.34 -53.05 62.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 12' ' ' VAL . 30.7 mt -43.89 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -41.11 -57.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.2 mtpt -39.83 -55.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 61' ' ' TYR . 96.4 mt -60.05 -41.7 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.775 HD12 ' CD2' ' A' ' 8' ' ' LEU . 11.7 mt -60.6 -38.16 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -63.03 -28.09 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.56 11.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.71 -4.02 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.49 -11.67 27.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -112.75 -13.86 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.486 HD11 HG23 ' A' ' 69' ' ' ILE . 7.0 mt -52.18 155.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 12.0 ttpt -147.38 149.12 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -123.57 118.75 28.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.1 t -102.81 125.77 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.563 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -106.25 73.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.5 mmpt? -54.05 -46.04 71.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.4 mtt180 -134.79 90.88 21.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.08 -32.43 5.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -43.43 -46.79 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 82' ' ' ARG . 12.4 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -38.03 -58.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -60.43 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -63.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' A' ' 66' ' ' LEU . 31.1 t -46.25 -47.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -53.66 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -44.89 96.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.1 -62.89 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 32' ' ' VAL . 27.8 m-85 -59.36 -53.04 62.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.7 m -42.87 -33.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -79.97 -69.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -41.95 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.5 t80 -67.62 -56.79 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.7 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.32 -59.86 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -60.03 -32.0 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.8 mt -82.7 3.38 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.36 57.85 7.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 164.88 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -90.87 -49.46 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.21 167.87 12.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.65 162.94 23.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -141.3 169.12 18.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.68 122.05 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 16' ' ' PHE . 57.6 t -67.94 113.22 13.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 75.01 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -45.8 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.73 -59.8 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -49.46 -36.81 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.3 m-85 -75.86 -25.82 56.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -80.41 -40.84 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.6 -13.97 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -146.19 65.8 10.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.29 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.26 -30.89 30.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 39.9 m-20 -89.54 -61.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 121.36 41.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.4 p90 -160.78 -173.08 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.3 t -125.87 153.31 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 167.03 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.9 29.77 75.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -85.01 163.98 43.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.64 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.11 140.23 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 53' ' ' ILE . 1.8 t-20 69.96 28.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.3 mt -146.09 110.49 4.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.4 t80 -118.41 95.12 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.01 175.97 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.21 159.3 11.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -22.04 15.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -6.91 36.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -104.03 -55.19 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 5.2 m-85 -40.14 138.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.3 -179.81 10.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.555 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.54 -49.25 52.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.41 5.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 9.0 mtt180 -57.16 -52.53 64.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.647 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.7 mt -45.45 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.4 mt-10 -47.1 -55.8 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.2 mtpp -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 90.6 mt -62.45 -45.14 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.4 mt -56.91 -39.25 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -60.25 -37.27 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.9 m -106.65 16.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.24 3.78 61.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -100.01 -12.2 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -114.92 -8.11 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.456 HD11 HG23 ' A' ' 69' ' ' ILE . 6.8 mt -51.31 155.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.4 tttt -147.77 149.76 32.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.81 114.64 19.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 81' ' ' LYS . 92.1 t -94.8 126.89 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.498 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -108.95 72.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.3 mmpt? -56.44 -43.18 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt85 -134.65 90.06 24.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.05 -34.42 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.26 -44.24 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.3 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.4 mtm180 -37.36 -56.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -55.53 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.04 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 66' ' ' LEU . 20.7 t -50.05 -47.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -53.05 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -45.21 -62.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.1 m-85 -56.33 -45.97 80.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -49.46 -58.93 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -52.03 -70.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -40.52 -57.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 1.114 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.1 t80 -46.57 -42.03 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -62.2 -49.63 75.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -42.26 -57.08 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.61 -41.61 86.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.114 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.4 mt -69.99 -10.6 59.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.53 56.3 23.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.47 162.95 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -94.73 -42.31 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.43 162.65 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.67 137.39 32.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -119.62 169.75 9.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 121.31 31.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 20' ' ' PHE . 58.5 t -67.13 113.8 15.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.07 75.32 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 35.5 m-85 -47.03 -23.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.0 -55.26 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -52.39 -34.7 49.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.1 m-85 -80.13 -23.82 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -37.49 31.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.07 -15.78 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -143.75 64.67 13.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 -23.45 13.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -77.91 -24.42 48.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -100.36 -57.53 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 mt -100.63 116.06 31.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -154.76 -173.84 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.6 t -130.94 138.23 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -110.64 168.69 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.28 29.69 73.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.39 164.0 37.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.43 42.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.85 139.96 41.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 70.03 29.15 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.95 112.7 4.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.35 2.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.2 t80 -109.7 90.92 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -130.75 -175.12 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.531 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.08 162.33 47.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -22.5 14.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -6.56 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.12 -52.8 2.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -43.11 138.24 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.85 -179.79 11.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -49.19 56.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -32.16 5.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 32.0 mtt180 -57.53 -50.32 73.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.687 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.2 mt -47.15 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.467 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.96 -58.01 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.6 mttt -39.79 -51.15 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.0 mt -61.44 -46.59 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 5.2 mt -56.36 -40.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.05 -35.6 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 m -107.67 13.37 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.38 -6.01 52.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -94.57 -16.08 23.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -107.09 -9.52 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.501 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -54.81 154.5 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 tttp -147.49 148.69 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 10.0 m-85 -125.12 119.06 27.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.625 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -103.04 127.96 56.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.617 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -110.32 72.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -54.86 -40.16 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -138.33 89.45 14.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 -29.58 8.0 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -49.26 -42.64 41.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -38.7 -60.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -51.71 -58.41 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -49.47 -60.25 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.603 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.3 t -49.91 -49.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.51 -45.25 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.55 -44.99 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD21 HD12 ' A' ' 76' ' ' ILE . 3.1 tp -44.7 -63.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -55.01 -43.09 73.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.82 -61.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -48.48 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -41.28 -59.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 12.7 t80 -46.1 -41.71 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.86 -45.23 94.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.07 -58.93 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.28 -28.82 63.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.91 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 86.8 mt -80.82 -18.76 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 68.65 47.78 54.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.96 159.75 19.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -87.43 -46.82 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.69 167.35 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.88 156.81 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -140.66 167.1 22.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.35 137.6 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG22 ' CD2' ' A' ' 20' ' ' PHE . 99.7 t -85.09 114.07 53.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 72.55 4.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -46.81 -23.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -51.96 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.6 m-85 -78.79 -22.27 46.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.56 -42.54 18.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.11 -13.24 56.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 39.4 m-70 -145.24 64.32 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 -17.02 19.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.4 -32.69 32.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.07 -59.11 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.19 118.89 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -160.51 -168.36 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.1 t -131.78 155.77 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -128.68 164.25 23.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.11 29.77 72.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.26 163.97 45.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.05 42.21 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.56 138.85 47.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 69.97 28.61 4.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mt -145.69 109.4 4.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.87 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.0 t80 -116.23 92.13 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -130.11 179.51 5.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.64 161.71 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.99 -29.23 8.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 p -66.4 -10.27 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -98.3 -52.23 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 107.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -44.8 139.96 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.67 -179.78 11.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.75 -49.27 50.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.35 5.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -57.17 -51.26 70.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.603 ' CD2' HG21 ' A' ' 12' ' ' VAL . 34.4 mt -46.6 -67.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -41.67 -59.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.5 mtpt -40.48 -52.86 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 61' ' ' TYR . 80.8 mt -58.68 -47.19 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 HD23 ' A' ' 8' ' ' LEU . 3.4 mt -56.37 -40.94 69.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.07 -32.88 70.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.31 11.22 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.28 -6.34 61.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -9.13 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -114.75 -13.75 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.404 HD12 HD21 ' A' ' 15' ' ' LEU . 7.5 mt -50.84 155.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' HD3' HG23 ' A' ' 79' ' ' VAL . 3.6 tmtt? -147.57 142.94 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.8 m-85 -119.2 118.87 32.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 79.7 t -102.85 129.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.58 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.3 mm -111.66 75.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -33.86 73.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.6 mtp180 -145.32 91.43 5.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.95 -31.17 6.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -46.88 -43.98 19.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' ' 82' ' ' ARG . 13.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 70' ' ' ILE . 15.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.5 mtt180 -36.82 -60.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -50.53 -56.86 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.9 mtm -51.75 -67.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.4 t -41.84 -42.43 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -50.09 74.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' MET . 13.2 mm-40 -65.15 -44.86 87.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -44.32 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.4 m-85 -56.89 -43.73 81.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.68 -49.54 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 4.4 ttpt -62.71 -67.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -42.48 -57.14 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.756 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 19.4 t80 -47.22 -40.23 15.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -67.08 -46.66 73.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -44.48 -58.33 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.5 -39.15 75.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.4 mt -70.96 -15.72 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.77 52.19 40.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.15 160.11 25.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -88.59 -45.7 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.66 167.42 16.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.51 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -138.43 169.6 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.22 122.15 32.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 ' CG ' ' A' ' 20' ' ' PHE . 59.1 t -69.0 113.56 17.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.95 4.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -43.19 -29.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -60.65 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -51.12 -44.38 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.0 m-85 -66.45 -24.27 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -41.37 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.98 -10.85 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.7 m-70 -144.18 64.1 12.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 -21.3 16.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -81.67 -28.6 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -97.55 -62.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.1 115.83 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 4.2 p90 -156.84 -171.58 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 77' ' ' LYS . 53.2 t -129.09 151.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HG2' ' CE2' ' A' ' 45' ' ' TYR . 52.0 mm-40 -123.97 162.26 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.42 29.72 71.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.29 164.15 47.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.51 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.6 138.85 57.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.53 29.25 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.85 111.13 4.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.6 t80 -115.28 92.9 4.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 178.18 6.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.59 160.12 20.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.01 -21.16 16.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -71.54 -6.35 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 63.9 m95 -104.32 -57.56 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.5 m-85 -37.83 134.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -63.83 179.8 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.49 -48.93 65.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.67 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mtt-85 -56.3 -51.72 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.609 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.1 mt -47.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.6 mtpt -39.39 -54.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 ' CE1' ' A' ' 61' ' ' TYR . 82.2 mt -59.56 -46.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.61 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.44 -40.82 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.57 -39.66 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 32.7 m -99.14 8.54 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -67.21 -8.22 49.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -93.81 -12.52 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 6.0 ptm180 -112.53 -8.36 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.486 HD12 HD21 ' A' ' 15' ' ' LEU . 5.6 mt -55.25 154.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -147.43 141.29 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.4 m-85 -119.5 118.71 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 71.3 t -101.61 132.23 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm -113.32 74.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.95 -43.6 86.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB2' HD12 ' A' ' 85' ' ' LEU . 26.5 mtt180 -136.27 90.47 17.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.01 -35.26 3.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.0 -36.58 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 82' ' ' ARG . 48.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 70' ' ' ILE . 15.0 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 74.9 mtm180 -36.97 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -57.23 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtm -49.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 66' ' ' LEU . 38.2 t -48.22 -48.84 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.11 -40.97 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -74.73 -43.4 55.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.05 -62.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 26.7 m-85 -57.42 -50.57 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.0 m -44.24 -37.24 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -76.24 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.7 mmtt -43.5 -27.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 8.9 t80 -71.42 -56.34 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -53.94 -40.75 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.07 -62.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.36 -33.12 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 87.4 mt -84.23 5.48 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 49.7 58.87 7.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.612 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 1.1 t -129.33 142.86 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -78.46 -50.43 11.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.57 158.84 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.57 157.67 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -142.17 169.28 17.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.56 34.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.4 t -79.39 114.32 44.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 76.16 3.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -46.61 -23.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.32 -60.07 3.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -49.31 -38.86 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.1 m-85 -74.43 -24.87 59.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -39.57 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.4 57.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -149.78 65.62 7.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.622 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.93 -31.15 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.4 m-20 -92.3 -60.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.85 122.82 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.9 p90 -162.05 -175.36 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.3 t -127.87 145.16 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.29 171.01 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.53 29.73 71.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -87.61 164.04 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.54 42.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.53 138.6 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 70.08 28.99 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.25 110.12 4.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 45.5 t80 -119.6 96.23 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.01 170.66 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.86 158.15 1.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -25.53 11.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -67.59 -9.26 41.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.83 -55.86 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 108.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.2 m-85 -39.24 139.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.07 -179.9 12.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.52 -48.98 54.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt85 -57.13 -49.37 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.6 mt -47.82 -69.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -42.37 -58.14 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' GLU . 33.5 mtpt -39.18 -50.04 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 79.9 mt -62.45 -46.32 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.564 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.6 -39.64 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -60.65 -31.46 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 m -111.09 14.61 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -76.74 2.14 60.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.31 -9.89 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -115.01 -15.46 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -46.59 156.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -147.64 148.58 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -122.96 111.92 17.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -94.96 125.07 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.508 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -108.13 72.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.611 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.9 mmpt? -54.38 -45.17 72.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -136.25 91.98 16.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.95 -30.48 7.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -43.83 -46.95 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.577 HD23 HD12 ' A' ' 70' ' ' ILE . 13.1 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -37.95 -61.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -59.18 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.0 mtm -48.51 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.0 t -43.84 -47.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -51.16 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -64.14 -43.6 94.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.1 -62.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.1 m-85 -58.67 -41.18 85.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -53.19 -52.38 59.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -61.03 -69.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -40.83 -55.26 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.3 t80 -49.81 -45.48 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.89 -49.65 75.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -40.34 -58.06 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.04 -37.54 71.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 81.0 mt -72.88 -17.5 61.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.24 52.58 21.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.75 164.38 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -91.56 -49.74 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.54 167.57 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.31 154.94 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -135.34 169.27 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.55 124.13 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 20' ' ' PHE . 55.4 t -72.13 114.3 28.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.98 80.37 2.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -49.87 -21.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.17 -50.71 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -56.94 -28.13 61.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.0 m-85 -86.36 -25.94 25.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -35.39 38.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.77 45.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -151.93 65.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.36 15.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.74 -22.62 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 30.6 m-20 -99.42 -59.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.93 118.12 36.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.1 p90 -158.07 -174.87 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 77' ' ' LYS . 54.1 t -129.17 139.61 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -113.01 169.52 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.58 29.56 72.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.15 163.87 35.5 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.542 0.79 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.78 41.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.85 139.92 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.16 29.1 3.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.82 110.58 4.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.99 2.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 21.5 t80 -108.52 90.22 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.75 174.56 9.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 162.46 5.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -22.26 14.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -7.36 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -103.73 -53.53 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.62 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.0 m-85 -42.87 135.7 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.28 -179.73 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.0 -48.7 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -33.0 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.2 mtt180 -56.96 -53.71 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.615 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.3 mt -43.89 -64.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.3 mt-10 -47.11 -58.28 4.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mtpm? -39.74 -49.69 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 61' ' ' TYR . 81.5 mt -63.66 -46.73 93.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.577 HD12 HD23 ' A' ' 8' ' ' LEU . 4.1 mt -55.63 -39.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.63 -40.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.41 15.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -74.61 -0.22 58.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.5 -14.27 20.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.39 -8.53 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.7 mt -55.47 155.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 13.8 ttpt -147.64 150.56 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 5.8 m-85 -126.31 111.03 14.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.617 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.0 t -95.3 124.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.54 71.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.617 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.8 mmpt? -53.21 -44.21 67.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt180 -136.74 91.84 15.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 -31.13 6.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -48.36 -40.84 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 82' ' ' ARG . 52.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.7 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -42.47 -46.79 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -59.3 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.0 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 66' ' ' LEU . 16.5 t -48.78 -40.79 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -67.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -47.02 -43.21 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -46.45 -64.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.0 m-85 -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.12 -49.09 69.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -63.98 -66.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -43.11 -48.35 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 28.3 t80 -56.39 -43.1 78.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -65.29 -42.02 93.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.91 -57.98 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.52 -40.85 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 83.2 mt -69.9 -15.82 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.78 58.29 4.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.601 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 16.5 t -130.85 157.05 43.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -88.09 -54.57 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 167.48 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.66 154.5 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -134.41 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.17 123.3 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG22 ' CG ' ' A' ' 20' ' ' PHE . 80.7 t -77.42 115.09 46.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 73.77 4.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -47.04 -25.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.0 -51.53 31.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.95 -30.1 45.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.2 m-85 -81.45 -26.68 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -40.54 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.62 -13.29 56.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 75.2 m-70 -151.84 64.23 5.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 -27.02 10.43 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -73.22 -19.45 61.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -104.86 -55.84 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.94 115.91 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.0 p90 -154.96 -170.57 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 77' ' ' LYS . 80.9 t -133.16 140.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.36 167.49 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 29.77 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.94 164.17 45.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.04 30.92 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.09 140.43 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.71 28.93 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.59 110.8 4.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.6 t80 -117.31 92.2 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -127.04 -171.21 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.85 160.92 80.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -19.24 18.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.9 m -75.22 -7.35 53.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.32 -52.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -41.75 136.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.38 -179.75 6.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -65.99 -49.37 57.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 8.3 mtt180 -56.71 -50.8 71.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -47.17 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -43.87 -57.0 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.1 mttp -39.24 -54.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 61' ' ' TYR . 84.9 mt -58.42 -46.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.8 mt -56.66 -41.46 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.06 -36.88 71.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 m -107.2 15.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.09 0.13 59.51 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.97 -14.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 3.7 ptm85 -111.91 -9.37 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.445 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -50.56 155.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.628 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.46 147.59 30.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.0 m-85 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.619 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.8 t -97.15 128.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.539 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -109.59 72.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -53.2 -45.19 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -136.11 91.44 17.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.98 -21.13 16.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.09 -39.96 72.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 65.3 mtm180 -36.99 -62.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -53.9 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -58.42 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD2' ' A' ' 66' ' ' LEU . 23.7 t -55.15 -42.46 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.07 -41.76 79.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -73.35 -47.41 42.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.07 -62.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.2 m-85 -57.48 -48.38 79.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.1 m -47.12 -39.76 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 108.288 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -72.58 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -44.28 -33.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 10.5 t80 -66.42 -55.16 17.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.84 -42.68 72.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.77 -63.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.32 -33.27 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 82.5 mt -84.63 7.55 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 60.1 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.781 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 6.1 t -126.0 152.85 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 m -85.46 -52.01 6.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 166.6 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.94 155.77 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.41 170.18 16.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.26 136.39 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.4 HG22 ' CG ' ' A' ' 20' ' ' PHE . 86.5 t -84.44 114.1 52.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.02 74.39 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -45.43 -24.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -52.89 37.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 85' ' ' LEU . 60.7 mmtt -55.17 -36.17 65.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.6 m-85 -77.76 -24.93 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -39.46 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.66 -9.81 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 68.1 m-70 -152.28 64.8 5.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.01 -20.4 16.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.7 -29.56 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 28.6 m-20 -94.62 -60.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.83 118.26 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -157.83 -173.82 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 55' ' ' PHE . 75.4 t -130.37 139.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -111.91 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.2 29.66 73.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.45 164.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.48 36.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.17 141.92 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 29.27 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -144.96 110.61 4.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.597 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 44.7 t80 -120.13 94.76 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -132.5 -176.65 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 157.94 58.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.95 -21.6 15.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.7 p -72.19 -7.2 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -103.47 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.1 m-85 -40.29 140.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.39 176.72 22.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.62 -48.8 73.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.2 mtt180 -58.74 -52.11 67.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 37.8 mt -45.49 -69.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -42.41 -56.91 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.7 mttp -39.08 -55.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 73' ' ' GLY . 83.6 mt -57.55 -45.39 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.4 mt -57.75 -41.48 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -60.47 -26.88 67.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.88 16.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.93 4.92 59.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -100.1 -13.29 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -112.62 -13.83 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 69' ' ' ILE . 7.6 mt -46.29 155.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.6 tmmm? -147.62 143.41 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.41 112.57 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.4 t -95.05 126.17 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.4 mm -107.83 71.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.606 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.2 mmpt? -52.21 -45.11 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.9 mtt180 -140.62 94.74 8.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 -27.21 10.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -46.58 -48.02 19.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.3 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 70' ' ' ILE . 12.5 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -37.6 -62.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -55.74 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.6 mtm -52.17 -62.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.0 t -48.27 -44.96 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.46 -42.17 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -73.65 -45.8 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -42.29 -63.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.8 m-85 -56.38 -47.68 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 34.7 m -46.86 -57.97 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 tptt -53.08 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 41.3 mmtt -39.86 -55.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 32' ' ' VAL . 15.2 t80 -47.73 -50.17 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.69 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -45.57 -59.97 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.07 -29.63 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 98.7 mt -85.2 5.3 30.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.3 56.45 7.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.87 164.22 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.62 -49.17 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -90.82 167.92 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.79 159.47 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 18.8 mtpt -141.4 169.03 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.43 140.73 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 20' ' ' PHE . 90.1 t -88.91 113.63 56.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -41.66 -27.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -65.94 -56.14 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -49.58 -38.14 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.26 -29.71 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.42 -37.06 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.51 -12.81 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 88.8 m-70 -149.76 64.34 6.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.536 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -21.94 15.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -79.07 -28.62 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 68.8 m-20 -97.06 -56.75 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -99.78 119.72 38.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -162.91 -174.43 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG2' ' CE2' ' A' ' 78' ' ' PHE . 10.2 t -126.13 154.38 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.66 168.41 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 29.87 75.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -86.08 163.97 40.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.61 41.22 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.22 142.7 50.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 66.84 29.13 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.12 110.19 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.2 t80 -118.17 95.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -133.53 -175.71 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 160.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 -24.3 12.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -68.08 -8.6 39.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 23.3 m95 -101.7 -58.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.64 137.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.31 -179.9 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.05 -49.04 58.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.3 mtt180 -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.577 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.1 mt -46.6 -63.13 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.4 mt-10 -48.03 -57.53 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mttt -39.71 -48.68 2.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 61' ' ' TYR . 79.7 mt -64.45 -46.54 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.91 -39.17 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.76 -37.05 80.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 m -104.54 14.07 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.08 -0.23 60.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -98.65 -9.67 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -115.42 -13.21 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -49.4 155.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -147.77 147.13 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CE2' ' CG2' ' A' ' 46' ' ' VAL . 7.8 m-85 -123.87 115.07 20.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.592 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.4 t -97.09 126.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -108.35 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.592 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -52.72 -45.83 67.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.6 mtt180 -136.38 92.49 15.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.522 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -75.01 -32.93 4.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -42.94 -45.56 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 82' ' ' ARG . 11.9 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.9 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -37.56 -56.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -58.85 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.7 mtm -46.99 -58.63 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.3 t -53.71 -35.31 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.82 -54.66 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -41.67 -62.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 23.7 m-85 -58.35 -51.52 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -43.72 -41.28 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -71.33 -64.05 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -43.7 -39.47 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 7.5 t80 -59.33 -54.31 48.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.68 -42.71 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -48.26 -63.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.11 -32.15 67.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.5 mt -84.17 6.63 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 50.1 59.77 7.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.723 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.9 t -130.98 154.86 47.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -88.68 -53.36 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.17 167.94 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.14 157.37 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -141.55 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 136.13 33.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.1 t -84.12 114.18 52.79 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 71.54 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -42.93 -26.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -48.71 -38.72 22.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.77 -32.28 65.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -37.64 59.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.53 -11.95 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -146.37 65.28 10.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.17 18.14 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -83.26 -37.37 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -86.79 -61.86 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 82' ' ' ARG . 12.9 mt -97.38 118.67 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.7 p90 -159.6 -169.68 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG12 ' HG ' ' A' ' 49' ' ' LEU . 25.8 t -129.35 155.22 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.43 164.97 20.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.97 29.82 75.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -83.34 164.25 46.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 145.65 31.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.87 144.5 57.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.73 29.39 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.57 110.8 4.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.662 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.2 t80 -121.27 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 -175.12 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 156.7 76.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.03 -11.24 21.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 p -81.08 -8.19 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -103.54 -53.11 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.3 m-85 -39.35 139.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.42 176.36 19.06 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -64.29 -49.53 72.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -31.14 6.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 17.0 mtt-85 -58.61 -51.28 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 8' ' ' LEU . 31.5 mt -47.54 -68.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.98 -56.62 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' GLU . 12.2 mtpt -40.26 -56.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 97.6 mt -55.07 -44.66 75.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.7 mt -58.4 -41.31 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -61.29 -26.77 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 29.7 m -111.76 10.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.92 -5.35 52.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.28 -10.13 33.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -115.06 -12.19 11.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -50.62 152.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -147.63 143.38 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.2 m-85 -119.88 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 70.9 t -100.62 127.32 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.575 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -109.86 74.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -58.18 -40.57 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 44' ' ' LEU . 38.7 mtt180 -138.14 90.31 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.489 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.45 -51.26 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -38.69 -61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -58.06 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 mtm -47.72 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.606 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.5 t -45.05 -43.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -69.48 -45.3 69.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -44.62 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.1 m-85 -58.02 -52.65 64.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 52.4 m -44.02 -35.49 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -77.05 -70.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -42.31 -28.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.8 t80 -70.98 -51.4 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -57.45 -40.62 78.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -49.6 -63.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.45 -31.92 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.62 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 94.7 mt -84.52 7.28 20.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.52 58.91 6.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.589 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.6 t -129.22 152.27 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.73 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -85.23 -53.41 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.68 166.4 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.26 158.82 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 41.5 mtmt -141.91 170.74 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.63 131.63 36.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 20' ' ' PHE . 46.9 t -80.42 114.41 47.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.93 76.16 3.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.83 -24.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.45 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -51.8 -36.96 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.4 m-85 -77.01 -25.97 53.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -37.49 39.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.59 42.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 85' ' ' LEU . 58.9 m-70 -147.27 64.61 8.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.96 -21.73 15.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -24.42 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.63 -60.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 82' ' ' ARG . 11.8 mt -101.07 118.08 36.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.6 p90 -159.45 -167.37 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' HG ' ' A' ' 49' ' ' LEU . 11.7 t -131.0 154.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -125.98 164.45 20.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 29.5 71.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -84.77 164.02 44.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.96 140.11 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 53' ' ' ILE . 27.7 m-80 70.23 28.49 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 52' ' ' ASN . 3.9 mt -146.24 110.01 4.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 40.1 t80 -117.86 94.73 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.7 175.51 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.54 161.86 3.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -30.29 7.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -59.88 -15.35 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 72.7 m95 -94.18 -60.13 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.59 137.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.21 -179.88 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.75 -48.5 63.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 26.8 mtt180 -55.9 -53.11 60.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 27.5 mt -44.63 -65.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.1 mt-10 -44.44 -57.91 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -40.98 -49.08 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 61' ' ' TYR . 94.2 mt -63.45 -45.7 97.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.93 -40.32 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.16 -36.85 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 m -103.77 10.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -73.17 -2.33 58.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.3 -11.54 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -114.2 -17.54 11.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.404 HD11 HG23 ' A' ' 69' ' ' ILE . 5.9 mt -44.29 154.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.9 ttpm? -147.29 145.15 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 9.1 m-85 -119.86 114.31 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.578 HG12 ' HG2' ' A' ' 81' ' ' LYS . 96.4 t -96.16 128.15 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -109.36 73.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.21 -42.74 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.0 mtt85 -135.15 90.36 21.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -27.87 9.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.55 -44.17 17.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 40' ' ' HIS . 33.5 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.3 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -37.34 -61.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -58.18 7.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.8 mtm -47.36 -62.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 66' ' ' LEU . 19.5 t -48.97 -50.48 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.91 -45.81 51.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -69.66 -46.67 65.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.25 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 12' ' ' VAL . 22.0 m-85 -54.95 -49.66 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.9 m -47.77 -60.07 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 6.2 tptp -49.54 -70.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -41.16 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 1.094 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.3 t80 -46.85 -42.49 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.14 -43.78 98.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.67 -54.7 25.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.2 -26.7 67.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.094 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 91.5 mt -85.14 -14.03 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.34 55.22 22.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.06 156.98 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m -86.02 -46.38 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.71 168.1 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.32 146.85 26.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -130.39 166.39 20.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.66 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG22 ' CD2' ' A' ' 20' ' ' PHE . 83.9 t -83.55 114.29 52.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.97 3.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -44.74 -25.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.66 -57.45 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -49.85 -37.58 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -74.49 -28.21 60.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.36 44.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.95 -11.66 52.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.466 ' CD2' HD13 ' A' ' 85' ' ' LEU . 79.9 m-70 -149.14 64.14 7.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.98 -16.86 20.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -80.73 -38.84 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 43.4 m-20 -92.26 -55.04 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' HIS . 90.2 mt -97.46 117.47 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.2 p90 -166.08 -172.43 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.69 153.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -127.5 170.17 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.54 29.68 75.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.98 164.19 42.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.99 139.92 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 69.35 29.01 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -145.18 110.41 4.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -167.75 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.7 t80 -114.01 92.56 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.71 174.77 9.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.76 165.07 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.96 -27.27 10.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -61.97 -25.83 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.1 m95 -83.3 -60.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.633 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.0 m-85 -37.59 134.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.71 -179.36 6.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.25 -48.46 68.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.06 -34.74 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 11.1 mtt-85 -55.22 -50.19 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.583 ' CD2' HG21 ' A' ' 12' ' ' VAL . 27.0 mt -46.71 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.05 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 6.4 mtpt -39.69 -52.77 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.633 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.6 mt -59.91 -46.08 94.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 8' ' ' LEU . 5.4 mt -55.75 -38.41 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.06 -34.89 75.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 35.4 m -104.63 9.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.36 -6.81 49.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -96.02 -11.1 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 6.6 ptp180 -111.6 -18.34 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 69' ' ' ILE . 7.3 mt -46.65 155.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.4 147.49 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 3.8 m-85 -121.88 118.82 29.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.516 HG11 ' OH ' ' A' ' 45' ' ' TYR . 96.8 t -103.64 115.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.597 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -101.48 73.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.7 mttt -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.717 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.0 mtt180 -139.2 87.43 13.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.74 -40.72 29.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 82' ' ' ARG . 42.5 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 153.53 31.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -72.06 129.79 39.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 -102.11 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 49.06 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.97 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.07 127.97 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 107.64 117.59 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.1 mt -38.75 -65.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -37.27 -56.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -60.58 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -57.29 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' CD2' ' A' ' 66' ' ' LEU . 39.6 t -51.75 -52.14 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -47.57 -51.41 21.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -63.76 -49.01 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.49 -62.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.52 -53.32 59.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -42.65 -51.17 5.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -60.33 -69.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -40.19 -57.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 17.6 t80 -46.5 -42.15 15.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -64.0 -51.5 63.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -39.07 -59.73 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -54.72 -41.69 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.6 mt -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.07 53.52 6.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 159.03 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.71 -44.32 9.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.69 167.62 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 157.52 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -141.06 171.12 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.74 126.23 36.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 20' ' ' PHE . 89.4 t -73.58 114.05 28.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.95 74.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -46.55 -24.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.14 -56.89 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -51.37 -39.08 56.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.13 -24.13 61.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -43.91 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.01 -12.24 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.1 m-70 -148.25 64.68 8.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.5 Cg_endo -75.01 -22.46 14.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -79.63 -26.47 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -99.34 -58.24 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -99.25 117.28 33.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.1 p90 -158.08 -172.01 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 77' ' ' LYS . 5.6 t -129.0 155.09 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -128.87 164.0 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.1 29.86 70.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -85.36 164.07 42.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.0 34.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.24 145.15 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.79 29.56 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.89 112.36 5.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 35.0 t80 -116.69 94.76 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -134.79 -178.59 5.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.8 159.52 25.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -23.27 13.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -70.4 -6.32 34.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -103.89 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.51 139.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.43 174.82 22.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -63.29 -48.75 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.99 -32.22 5.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt180 -57.51 -52.79 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.716 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.9 mt -44.74 -68.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -42.18 -59.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.0 mtpt -39.98 -49.49 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.485 HD11 ' CE1' ' A' ' 61' ' ' TYR . 92.0 mt -62.07 -46.9 95.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 4.9 mt -55.6 -40.86 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -58.72 -39.52 81.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 29.5 m -99.66 9.83 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.59 -6.76 51.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -95.13 -11.35 28.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.5 ptp180 -113.05 -9.34 13.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -55.7 154.2 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 46' ' ' VAL . 50.5 tttt -147.36 147.87 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.7 m-85 -124.65 120.81 32.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 73.6 t -102.86 130.41 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -113.04 72.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.456 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -54.54 -39.8 68.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -141.96 93.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -25.95 11.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' THR . 12.3 pt-20 -51.8 -36.56 48.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.5 mt -49.66 -37.15 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.7 -32.39 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.4 m 54.96 79.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 20.9 m170 59.29 179.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 t -127.48 -62.36 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.95 146.93 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 t -167.33 55.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 51.7 78.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.1 p -162.07 133.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -142.41 92.92 2.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.05 168.63 12.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.13 129.63 37.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.69 -59.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m 60.79 90.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.036 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.3 168.3 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.21 161.91 9.01 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -135.22 110.84 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.52 131.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 85.17 114.67 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.0 mt -38.3 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -38.12 -60.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -57.38 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.9 mtm -48.8 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.5 t -46.79 -46.86 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.78 -63.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -51.88 -47.47 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 tp -42.93 -62.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 22.0 m-85 -57.65 -42.74 84.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.564 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 51.6 m -52.53 -51.58 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 108.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.09 -69.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -41.19 -48.82 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.9 t80 -54.62 -47.19 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -62.63 -46.49 88.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -42.83 -57.93 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.66 -39.46 73.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 76.8 mt -70.48 -18.58 62.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 78.31 51.06 5.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.539 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 9.2 t -125.42 164.89 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 0.798 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -95.02 -55.73 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.05 168.06 19.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 17' ' ' CYS . . . -77.02 153.43 34.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -129.56 164.37 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.17 110.61 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.491 HG22 ' CG ' ' A' ' 20' ' ' PHE . 47.3 t -65.17 112.46 8.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.97 71.56 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -43.15 -26.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' GLU . 55.6 mt-30 -67.42 -58.83 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -50.0 -33.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -79.82 -25.54 40.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -81.04 -37.94 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.14 -10.8 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 46.9 m-70 -149.82 64.22 6.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.02 -21.71 15.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -79.01 -21.62 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 44.9 m-20 -105.12 -57.66 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD13 HD21 ' A' ' 86' ' ' LEU . 23.7 mt -100.08 115.97 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -161.87 -170.73 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' A' ' 49' ' ' LEU . 7.1 t -126.51 156.71 37.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 164.67 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.32 29.77 71.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -84.77 164.1 43.64 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.491 0.759 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.44 38.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.92 139.66 55.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.98 28.92 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -145.41 110.55 4.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 37.4 t80 -119.81 96.59 5.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -136.26 -175.42 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.64 159.87 64.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -22.78 14.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.7 p -69.8 -7.06 36.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -103.39 -56.32 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.9 m-85 -39.35 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.96 176.53 21.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -63.82 -48.5 79.1 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.73 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -33.06 4.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 23.7 mtt180 -56.82 -52.96 63.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.5 mt -45.15 -70.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -39.29 -59.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -40.45 -52.35 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' TYR . 86.4 mt -59.15 -46.9 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HD23 ' A' ' 8' ' ' LEU . 4.5 mt -55.52 -40.48 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.56 -31.51 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.48 10.36 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.82 -3.54 55.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -95.98 -10.75 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -19.94 11.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 6.9 mt -43.44 154.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.64 145.14 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -120.25 112.82 19.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 85.8 t -97.76 125.11 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.523 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.37 72.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.1 mmpt? -52.1 -46.75 65.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB2' HD12 ' A' ' 85' ' ' LEU . 67.1 mtt-85 -135.55 92.01 17.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.97 -32.0 5.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.7 pt-20 -43.58 -49.16 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.5 mt -45.07 -44.56 10.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.566 HD21 HD13 ' A' ' 44' ' ' LEU . 23.0 mt -59.57 -40.38 87.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' GLU . 6.3 m 58.2 89.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -54.55 128.09 30.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.605 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -165.94 73.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.4 m -149.46 131.83 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.6 t -116.15 -37.44 3.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 75.78 157.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.9 t -140.34 82.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.353 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.8 p -159.11 150.96 20.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.63 106.61 0.99 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.7 p -45.57 163.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 p -141.55 139.84 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t 64.65 129.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.795 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -59.02 144.33 45.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -102.64 -63.1 0.72 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 1.2 t 80.29 -58.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.46 165.01 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 121.28 101.26 1.74 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.3 mt -37.88 -64.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -37.85 -59.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -57.85 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.0 mtm -48.92 -60.89 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 66' ' ' LEU . 54.4 t -48.39 -48.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.79 -45.63 63.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -69.12 -47.4 65.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.04 -62.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.1 m-85 -57.42 -43.3 83.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.37 -51.46 58.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -60.67 -69.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -41.15 -55.74 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.826 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.6 t80 -50.04 -42.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.08 -45.02 87.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -46.6 -54.66 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.56 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.39 -30.07 70.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.826 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.3 mt -81.53 -12.38 58.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.74 54.99 31.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.15 159.91 30.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -90.05 -46.02 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.39 154.52 21.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.68 157.67 31.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -140.6 171.82 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.6 123.46 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.69 HG22 ' CD2' ' A' ' 20' ' ' PHE . 47.2 t -70.05 113.62 19.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.723 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.02 77.38 3.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -50.4 -21.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -67.38 -57.81 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 19.7 mmtm -54.56 -36.3 64.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.93 -22.49 59.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -44.11 14.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.72 -11.58 59.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 15.6 m-70 -147.21 64.98 9.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -18.94 18.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.61 -37.17 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -93.22 -57.64 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 HD21 ' A' ' 86' ' ' LEU . 47.6 mt -96.28 120.51 36.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.7 p90 -167.85 -170.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 49' ' ' LEU . 18.8 t -128.69 153.21 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.58 165.63 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 30.19 73.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.61 164.19 41.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.98 42.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -76.03 139.47 41.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.52 29.22 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.69 112.29 4.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -163.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 25.4 t80 -121.39 96.0 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 -179.72 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.22 159.44 22.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 -23.02 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -68.91 -7.92 39.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -102.73 -56.89 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.8 m-85 -38.09 138.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.53 -179.88 11.26 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -66.58 -49.05 53.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -31.79 5.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.4 mtt-85 -57.9 -52.59 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.765 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.5 mt -45.73 -65.88 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -44.61 -57.27 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 34.7 mtpt -39.61 -51.94 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 71.4 mt -60.89 -47.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.563 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.08 -40.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -57.96 -40.74 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.74 19.0 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -79.24 5.24 60.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.98 -15.71 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -108.66 -13.3 14.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -46.87 155.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.76 147.12 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 7.1 m-85 -122.56 119.0 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 97.7 t -101.91 121.87 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.582 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -106.93 74.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 11.6 mttt -64.39 -22.36 66.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.3 mtp180 -156.63 89.86 2.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.582 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.04 -31.54 6.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.47 -43.18 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 17.7 mt -47.45 -30.07 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.723 HD22 ' HG2' ' A' ' 33' ' ' PRO . 8.0 mt -79.7 -43.38 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 17.7 m -45.62 141.26 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 87' ' ' THR . 8.5 t-80 85.22 -50.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.631 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -97.17 104.12 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.4 m -135.93 148.34 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.0 m -127.72 150.76 49.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.59 174.06 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.89 -58.52 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -177.33 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.07 162.83 12.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.79 4.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t 41.8 77.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -138.66 112.38 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m 61.83 145.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -171.05 162.38 7.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.68 -160.82 36.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -148.58 91.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.968 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p -152.55 94.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 125.95 118.09 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.128 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 70' ' ' ILE . 14.2 mt -37.39 -64.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 27.3 mtm-85 -36.46 -58.77 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -61.8 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 36.3 mtp -47.46 -57.05 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG21 ' CD2' ' A' ' 66' ' ' LEU . 68.1 t -52.1 -53.23 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.49 -46.69 38.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.77 -46.48 71.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -44.4 -62.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.0 m-85 -57.51 -53.31 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.2 m -43.92 -40.86 4.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -71.02 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -41.04 -33.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.0 t80 -65.55 -52.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -55.9 -42.04 75.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.08 -62.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.7 -35.41 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 93.9 mt -80.2 2.14 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 52.6 60.06 8.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.637 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 5.2 t -128.54 159.57 35.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -91.58 -50.39 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.429 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -80.57 166.79 20.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 156.88 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -135.52 169.13 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.27 121.43 36.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 20' ' ' PHE . 99.4 t -71.51 113.75 22.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.1 Cg_endo -75.0 72.5 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -42.95 -26.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 8.9 mm100 -68.94 -50.81 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.8 m-85 -75.81 -26.77 57.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.52 -40.15 30.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.96 -15.44 51.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CD2' HD13 ' A' ' 85' ' ' LEU . 52.0 m-70 -145.79 65.41 11.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.62 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -23.07 14.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.7 -20.67 35.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -101.47 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 82' ' ' ARG . 17.8 mt -101.35 117.72 35.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.8 p90 -159.99 -171.25 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 77' ' ' LYS . 4.7 t -128.87 153.99 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -126.4 166.47 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.34 29.82 71.69 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.2 mt -85.89 164.13 40.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.69 42.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.553 1.818 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.52 144.55 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 64.15 28.8 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.51 108.63 4.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.755 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 43.4 t80 -117.95 93.78 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -128.92 -172.52 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.79 157.78 89.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -10.15 21.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -7.85 59.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -103.47 -50.09 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -44.15 137.37 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.81 -179.98 9.75 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -48.87 58.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.87 5.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 4.8 mtt-85 -56.68 -51.47 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.696 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.4 mt -46.55 -66.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -43.96 -56.89 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 13.1 mtpt -40.03 -54.72 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 61' ' ' TYR . 95.8 mt -59.8 -45.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.674 HD12 ' CD2' ' A' ' 8' ' ' LEU . 7.4 mt -56.36 -39.62 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.0 -34.06 74.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.36 11.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.91 -3.36 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -10.48 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.7 -15.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -47.78 154.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 46' ' ' VAL . 37.3 ttpt -147.47 147.46 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -122.15 114.43 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.5 t -97.66 125.03 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.2 mm -107.76 73.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -56.7 -43.44 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.8 mtt180 -135.06 90.03 22.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.0 -29.89 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.0 pt-20 -48.23 -44.78 33.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.0 mt -45.07 -35.2 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.78 -42.78 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.9 m 63.0 96.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 151.46 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.94 120.57 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 55.0 m -73.25 139.24 46.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -136.29 132.65 36.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.0 123.5 27.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.61 136.78 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 m -158.39 142.98 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.6 164.59 10.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.97 39.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.01 90.87 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -95.67 129.99 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 t -93.77 144.65 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.953 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -154.97 -51.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.86 100.5 0.65 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.095 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m 62.38 132.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -161.06 -63.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -174.09 121.79 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.7 mt -37.9 -64.38 0.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.74 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -38.2 -59.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtm -49.51 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.616 HG21 ' CD2' ' A' ' 66' ' ' LEU . 17.7 t -44.51 -45.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -50.06 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -65.17 -44.46 88.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.339 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tp -43.77 -64.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.1 m-85 -57.23 -42.84 82.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 m -49.4 -52.21 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 108.356 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.2 tttt -61.46 -67.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -40.26 -57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.88 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 27.6 t80 -48.78 -41.34 32.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -65.74 -42.97 90.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -48.79 -59.6 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.585 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.29 -38.42 68.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 79.7 mt -71.46 -20.66 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.21 52.32 8.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.23 162.24 21.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -91.53 -47.73 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.5 167.7 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.37 149.06 25.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -128.81 168.6 15.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.47 119.28 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 20' ' ' PHE . 91.3 t -66.72 114.18 16.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 69.98 5.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -46.34 -24.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -52.61 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 29.4 mmtm -55.8 -38.66 70.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.6 m-85 -71.73 -26.32 62.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.8 -44.02 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.71 -15.08 58.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.9 66.06 12.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.96 13.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -77.92 -28.27 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 27.7 m-20 -96.74 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.75 119.1 36.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -157.91 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 55' ' ' PHE . 26.3 t -129.4 153.23 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -127.26 167.48 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.24 29.72 73.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.28 163.85 38.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 151.64 40.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.02 142.26 49.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 t30 67.97 29.21 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.94 112.69 4.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 39.4 t80 -114.59 94.04 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.55 -175.72 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 160.84 53.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.98 -21.53 15.8 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -70.86 -6.24 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m95 -103.9 -57.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.627 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.63 136.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.71 -179.77 9.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -66.21 -48.66 58.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -32.9 4.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.1 mtt180 -56.97 -52.88 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.616 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -45.19 -64.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.9 mt-10 -45.92 -58.93 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 8.0 mttp -39.99 -49.68 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.9 mt -62.49 -47.36 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 8' ' ' LEU . 4.7 mt -55.19 -40.06 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -58.14 -39.82 79.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 27.9 m -100.95 10.36 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.43 -7.51 52.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -95.24 -11.36 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -111.97 -11.65 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -53.55 154.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.48 147.36 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 6.9 m-85 -122.57 119.84 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.613 HG12 ' HG2' ' A' ' 81' ' ' LYS . 89.3 t -103.68 123.68 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.585 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.0 mm -105.8 72.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.613 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.3 mmpt? -55.31 -42.78 74.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -138.61 91.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 -27.5 9.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.9 pt-20 -49.37 -40.12 34.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.418 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 27.6 mt -48.91 -33.67 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' HIS . 5.5 mt -74.37 -33.86 63.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' GLU . 92.9 m 65.57 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 t-160 -145.76 -178.94 6.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.98 161.52 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.2 m -118.08 117.9 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.3 m -120.68 118.3 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.68 167.37 3.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.75 51.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -61.89 147.07 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.42 132.18 1.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 76.15 3.46 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.75 126.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.35 105.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.97 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 57.99 80.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 160.63 33.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 p -170.58 116.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.723 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -174.13 91.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.969 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 115.21 117.72 3.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 66' ' ' LEU . 15.3 mt -37.99 -66.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.8 mtm-85 -38.01 -60.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -54.61 29.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 mtm -53.23 -61.41 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.5 t -48.27 -45.22 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -45.61 76.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.74 -44.95 69.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -46.36 -64.39 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 19.2 m-85 -53.44 -47.0 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.5 m -46.22 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.16 -69.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -39.99 -60.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 1.089 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.9 t80 -47.5 -43.25 24.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.14 -44.24 97.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -47.91 -55.76 9.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -59.28 -37.63 78.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.089 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.9 mt -74.34 -13.25 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 62.34 58.47 12.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 153.66 42.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.7 m -81.41 -46.28 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -89.53 163.45 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.96 154.74 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HG2' HG21 ' A' ' 90' ' ' THR . 5.4 mttt -134.18 168.9 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.58 118.01 28.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 20' ' ' PHE . 70.4 t -64.25 112.97 8.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.94 72.57 4.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -46.59 -24.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.68 -54.59 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 85' ' ' LEU . 24.1 mmtm -55.51 -32.64 63.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 5.7 m-85 -78.25 -25.02 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.45 -41.22 24.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.47 -17.85 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 45.4 m-70 -144.34 64.8 12.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 -20.16 17.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.42 -22.98 37.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 72.7 m-20 -102.42 -53.7 2.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.4 115.96 31.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.8 p90 -159.51 -170.39 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 6.3 t -126.36 156.39 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.34 164.49 22.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.44 29.75 71.54 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -86.1 164.03 40.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.38 140.64 50.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 69.5 29.38 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.66 110.8 4.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.8 t80 -115.88 94.19 4.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -132.12 -174.21 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.19 158.05 73.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -10.68 21.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 p -81.69 -6.55 59.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -104.17 -52.01 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -41.42 137.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.11 176.58 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.35 -48.52 75.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -74.96 -30.85 6.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 25.1 mtt180 -58.99 -54.13 50.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.656 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.4 mt -43.84 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -38.95 -59.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLU . 5.8 mtpm? -39.68 -52.01 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 61' ' ' TYR . 88.8 mt -59.82 -46.78 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 8' ' ' LEU . 4.2 mt -56.8 -41.89 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -57.04 -40.72 77.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.8 m -104.34 18.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -80.33 6.38 60.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -100.28 -14.71 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -110.63 -15.63 13.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -43.64 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.3 tttt -147.75 148.65 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.0 m-85 -123.96 115.94 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.3 t -99.71 125.78 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.544 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -107.85 72.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.586 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.4 mmpt? -52.91 -46.51 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB2' HD12 ' A' ' 85' ' ' LEU . 27.5 mtt85 -135.46 91.6 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.98 -28.99 8.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.2 pt-20 -46.6 -46.4 19.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 82' ' ' ARG . 8.2 mt -46.71 -34.75 5.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.082 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt -68.65 -40.91 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.7 m 60.51 105.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -40.98 103.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.588 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -167.67 89.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.717 HG21 ' HG2' ' A' ' 30' ' ' LYS . 38.3 m -139.45 124.74 19.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.8 t -110.67 157.59 19.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -152.65 154.0 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 93' ' ' VAL . 3.7 p -171.66 48.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.29 158.02 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.78 93.07 0.09 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.24 18.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.3 p -176.78 132.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -88.12 -61.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.64 108.69 19.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -130.38 140.63 50.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.08 178.18 18.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.14 83.66 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t 61.64 142.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 116.7 70.68 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.0 mt -38.69 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -38.12 -55.79 1.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -60.55 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -47.35 -58.39 4.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG21 ' CD2' ' A' ' 66' ' ' LEU . 37.9 t -49.56 -51.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -55.37 13.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.39 -43.7 96.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -45.75 -65.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.9 m-85 -54.43 -43.6 71.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -52.6 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -48.53 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -41.5 -58.06 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 15.4 t80 -48.01 -42.32 27.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -62.53 -42.39 99.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -52.17 -51.16 59.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -64.81 -25.8 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.0 mt -87.13 -9.93 54.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 60.24 55.12 31.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.54 154.92 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.4 p -82.34 -48.67 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.57 166.9 14.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.07 158.48 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -142.16 166.68 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.28 133.39 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.656 HG22 ' CD2' ' A' ' 20' ' ' PHE . 72.2 t -79.56 114.4 45.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.03 80.23 2.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 27.3 m-85 -47.6 -23.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -67.71 -61.07 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -47.41 -37.76 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.672 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.2 m-85 -74.22 -31.42 62.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -75.74 -40.54 55.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.42 -16.39 52.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CD2' HD13 ' A' ' 85' ' ' LEU . 60.3 m-70 -145.31 64.01 10.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -16.69 20.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -40.03 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -91.51 -55.43 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 79.4 mt -96.5 118.27 32.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.5 p90 -167.09 -175.5 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 t -124.16 154.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -127.61 168.32 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.71 74.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -84.91 164.16 43.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.0 42.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.53 139.14 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 69.47 28.83 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.39 109.54 4.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.88 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.9 t80 -112.14 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -125.4 -174.02 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.555 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -72.66 162.45 74.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -24.62 12.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -70.69 -6.13 34.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -104.06 -57.59 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.9 m-85 -38.76 138.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.54 179.16 12.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -65.16 -48.49 69.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -34.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.8 mtt180 -55.26 -51.93 65.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.731 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.0 mt -46.11 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -39.51 -59.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 3.6 mttp -39.65 -52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 66.1 mt -59.66 -48.01 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 8' ' ' LEU . 3.5 mt -55.07 -41.66 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.71 -38.78 75.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.52 12.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -72.74 -2.52 56.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -98.22 -10.82 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -112.26 -13.71 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.2 mt -50.18 155.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.57 147.44 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 5.6 m-85 -121.92 116.66 24.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.481 HG12 ' HG3' ' A' ' 81' ' ' LYS . 97.0 t -100.45 118.98 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -104.6 73.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.0 mttt -62.11 -33.44 74.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.674 ' HB2' HD12 ' A' ' 85' ' ' LEU . 68.2 mtt180 -142.96 89.27 7.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.5 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -36.64 2.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.18 -41.56 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 82' ' ' ARG . 38.7 mt -45.17 -42.69 9.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 33' ' ' PRO . 19.2 mt -63.91 -42.66 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m 62.45 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.05 -178.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p 43.67 81.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.5 m -98.67 148.86 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -95.76 134.05 39.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.97 -59.6 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t 61.54 107.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.39 95.88 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -127.51 97.52 0.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 62.7 5.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.95 145.11 30.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.9 p -178.59 121.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 138.92 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -121.34 127.59 51.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.64 110.55 3.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.103 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -144.93 86.51 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.2 87.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -144.27 102.95 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.775 ' CD2' HD12 ' A' ' 70' ' ' ILE . 17.4 mt -38.47 -63.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' LEU . 41.1 mtm180 -37.3 -53.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.9 mtp -42.69 -57.85 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 66' ' ' LEU . 48.8 t -50.84 -54.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -46.22 -52.09 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -62.68 -47.43 83.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tp -42.43 -62.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.9 m-85 -58.62 -42.18 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.2 m -50.77 -53.03 35.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.312 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -61.12 -68.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -40.4 -57.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 14.2 t80 -48.53 -42.82 34.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . -63.83 -48.67 75.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -41.38 -58.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.98 -34.89 66.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.726 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 84.1 mt -74.77 -20.48 59.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.1 49.49 21.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.76 163.54 16.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -92.08 -49.04 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.93 167.88 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.59 152.06 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -132.29 166.67 21.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.4 119.43 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 20' ' ' PHE . 78.1 t -65.66 114.26 15.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.98 70.44 5.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -40.75 -28.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -65.08 -55.25 19.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -49.86 -37.57 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.2 m-85 -75.76 -22.47 56.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -80.15 -44.7 19.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -7.24 59.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -153.0 64.82 5.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 -21.08 16.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.87 -31.36 31.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 8.4 m-20 -90.48 -59.39 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.01 115.86 29.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -154.43 -171.17 3.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 77' ' ' LYS . 7.5 t -130.15 155.38 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.91 164.6 21.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.41 30.39 71.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.3 mt -85.94 163.95 41.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.93 43.05 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.55 138.96 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t30 69.88 29.41 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mt -145.24 112.76 4.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.9 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.632 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 30.7 t80 -119.15 96.22 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -139.1 171.24 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 160.17 0.73 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.02 -27.56 9.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.513 1.796 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -13.11 27.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.9 m95 -96.42 -58.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 108.025 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.618 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.9 m-85 -37.45 137.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.58 -179.86 11.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -66.24 -48.47 58.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.01 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 18.7 mtt180 -57.34 -53.05 62.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.784 ' CD2' HG21 ' A' ' 12' ' ' VAL . 30.7 mt -43.89 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -41.11 -57.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 24.2 mtpt -39.83 -55.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 61' ' ' TYR . 96.4 mt -60.05 -41.7 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.775 HD12 ' CD2' ' A' ' 8' ' ' LEU . 11.7 mt -60.6 -38.16 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -63.03 -28.09 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.56 11.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.71 -4.02 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.49 -11.67 27.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -112.75 -13.86 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.486 HD11 HG23 ' A' ' 69' ' ' ILE . 7.0 mt -52.18 155.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 12.0 ttpt -147.38 149.12 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 8.1 m-85 -123.57 118.75 28.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.1 t -102.81 125.77 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.563 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -106.25 73.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.59 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.5 mmpt? -54.05 -46.04 71.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.4 mtt180 -134.79 90.88 21.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.08 -32.43 5.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -43.43 -46.79 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 82' ' ' ARG . 12.4 mt -45.05 -42.97 9.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.62 -43.77 98.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.1 m -56.26 -61.97 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.432 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 41.92 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.636 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.8 t -48.13 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 t -162.18 126.04 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.3 t -127.43 136.01 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.32 119.7 13.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.253 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.92 135.92 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.2 t 178.67 150.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.96 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.37 -162.42 14.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.97 144.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 p -161.01 83.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m 55.44 83.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p -139.9 91.95 2.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.02 -62.75 0.56 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p 41.07 90.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.5 -42.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -66.36 113.28 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.1 mt -37.72 -62.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 mtm105 -38.03 -58.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -60.43 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -63.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' A' ' 66' ' ' LEU . 31.1 t -46.25 -47.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.74 -53.66 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.26 -44.89 96.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.1 -62.89 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 32' ' ' VAL . 27.8 m-85 -59.36 -53.04 62.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.7 m -42.87 -33.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -79.97 -69.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -41.95 -29.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.5 t80 -67.62 -56.79 8.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.7 66.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.32 -59.86 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -60.03 -32.0 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 96.8 mt -82.7 3.38 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.36 57.85 7.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.29 164.88 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -90.87 -49.46 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.21 167.87 12.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.65 162.94 23.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -141.3 169.12 18.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.68 122.05 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 16' ' ' PHE . 57.6 t -67.94 113.22 13.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 75.01 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -45.8 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.73 -59.8 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -49.46 -36.81 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.3 m-85 -75.86 -25.82 56.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -80.41 -40.84 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.6 -13.97 53.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -146.19 65.8 10.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.29 16.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.26 -30.89 30.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 39.9 m-20 -89.54 -61.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 121.36 41.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.4 p90 -160.78 -173.08 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.3 t -125.87 153.31 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 167.03 15.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.9 29.77 75.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -85.01 163.98 43.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.64 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.11 140.23 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 53' ' ' ILE . 1.8 t-20 69.96 28.39 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.3 mt -146.09 110.49 4.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.4 t80 -118.41 95.12 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.01 175.97 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.21 159.3 11.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -22.04 15.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -6.91 36.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -104.03 -55.19 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 5.2 m-85 -40.14 138.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.3 -179.81 10.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.555 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.54 -49.25 52.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.41 5.39 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 9.0 mtt180 -57.16 -52.53 64.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.647 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.7 mt -45.45 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.4 mt-10 -47.1 -55.8 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.2 mtpp -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 90.6 mt -62.45 -45.14 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.4 mt -56.91 -39.25 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -60.25 -37.27 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.9 m -106.65 16.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.24 3.78 61.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -100.01 -12.2 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -114.92 -8.11 12.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.456 HD11 HG23 ' A' ' 69' ' ' ILE . 6.8 mt -51.31 155.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' VAL . 62.4 tttt -147.77 149.76 32.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.81 114.64 19.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 81' ' ' LYS . 92.1 t -94.8 126.89 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.498 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -108.95 72.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.3 mmpt? -56.44 -43.18 79.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt85 -134.65 90.06 24.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.05 -34.42 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.26 -44.24 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 82' ' ' ARG . 23.3 mt -47.48 -42.44 22.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 83' ' ' PRO . 15.6 mt -70.3 -42.28 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.422 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 94.5 m -54.82 130.51 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.422 ' CB ' ' O ' ' A' ' 87' ' ' THR . 6.4 t-160 81.7 66.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.48 128.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.7 m -155.3 131.39 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.7 p -88.93 179.44 6.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -145.95 142.13 28.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.56 143.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.2 p -175.34 139.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -179.4 157.24 20.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.6 15.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 t -100.96 -58.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p -154.66 160.8 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -156.01 93.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 74.26 -66.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.38 -45.86 5.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m 47.03 95.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.53 159.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 112.72 69.7 0.54 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HB3' HD13 ' A' ' 66' ' ' LEU . 17.7 mt -38.37 -66.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.4 mtm180 -37.36 -56.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -55.53 33.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.04 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG21 ' CD2' ' A' ' 66' ' ' LEU . 20.7 t -50.05 -47.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -53.05 52.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.75 -44.21 96.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tp -45.21 -62.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 24.1 m-85 -56.33 -45.97 80.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -49.46 -58.93 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -52.03 -70.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -40.52 -57.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 1.114 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.1 t80 -46.57 -42.03 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -62.2 -49.63 75.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -42.26 -57.08 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.61 -41.61 86.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.114 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 78.4 mt -69.99 -10.6 59.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 61.53 56.3 23.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.47 162.95 24.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -94.73 -42.31 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.43 162.65 19.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.67 137.39 32.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -119.62 169.75 9.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 121.31 31.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 20' ' ' PHE . 58.5 t -67.13 113.8 15.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -75.07 75.32 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CE2' ' OG ' ' A' ' 57' ' ' SER . 35.5 m-85 -47.03 -23.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.0 -55.26 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -52.39 -34.7 49.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.1 m-85 -80.13 -23.82 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -37.49 31.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.07 -15.78 35.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 53.9 m-70 -143.75 64.67 13.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 -23.45 13.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -77.91 -24.42 48.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -100.36 -57.53 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 mt -100.63 116.06 31.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 7.0 p90 -154.76 -173.84 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.6 t -130.94 138.23 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -110.64 168.69 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.28 29.69 73.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.39 164.0 37.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.43 42.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.85 139.96 41.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t30 70.03 29.15 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.95 112.7 4.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.35 2.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.2 t80 -109.7 90.92 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -130.75 -175.12 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.531 ' OG ' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -66.08 162.33 47.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 -22.5 14.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -6.56 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.12 -52.8 2.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -43.11 138.24 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.85 -179.79 11.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.15 -49.19 56.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -32.16 5.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 32.0 mtt180 -57.53 -50.32 73.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.687 ' CD2' HG21 ' A' ' 12' ' ' VAL . 31.2 mt -47.15 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.467 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -43.96 -58.01 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 20.6 mttt -39.79 -51.15 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.0 mt -61.44 -46.59 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HD23 ' A' ' 8' ' ' LEU . 5.2 mt -56.36 -40.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -58.05 -35.6 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 m -107.67 13.37 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.38 -6.01 52.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -94.57 -16.08 23.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -107.09 -9.52 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.501 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -54.81 154.5 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.603 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 tttp -147.49 148.69 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 10.0 m-85 -125.12 119.06 27.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.625 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -103.04 127.96 56.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.617 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -110.32 72.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -54.86 -40.16 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -138.33 89.45 14.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 -29.58 8.0 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 87' ' ' THR . 7.5 pt-20 -49.26 -42.64 41.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt -45.39 -40.37 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.98 -42.78 94.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.5 m 62.83 136.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -48.63 153.1 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 p -164.08 164.17 22.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -119.14 147.52 44.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -149.56 161.11 42.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -178.23 -60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.8 t 60.11 96.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 132.13 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -133.37 157.38 22.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 158.7 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.8 p -155.3 85.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.6 p -175.09 86.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -170.27 157.95 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m 60.04 157.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.93 137.07 7.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -59.4 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 168.52 8.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 125.02 64.63 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.4 mt -37.38 -64.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -38.7 -60.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -51.71 -58.41 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 mtm -49.47 -60.25 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.3 t -49.91 -49.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -51.51 -45.25 62.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.55 -44.99 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD21 HD12 ' A' ' 76' ' ' ILE . 3.1 tp -44.7 -63.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 22.0 m-85 -55.01 -43.09 73.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.82 -61.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -48.48 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -41.28 -59.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 12.7 t80 -46.1 -41.71 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.86 -45.23 94.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -47.07 -58.93 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.28 -28.82 63.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.91 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 86.8 mt -80.82 -18.76 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 68.65 47.78 54.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.96 159.75 19.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -87.43 -46.82 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.69 167.35 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.88 156.81 27.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -140.66 167.1 22.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.35 137.6 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG22 ' CD2' ' A' ' 20' ' ' PHE . 99.7 t -85.09 114.07 53.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.658 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.94 72.55 4.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -46.81 -23.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -51.96 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.08 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.22 -31.71 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.6 m-85 -78.79 -22.27 46.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.56 -42.54 18.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.11 -13.24 56.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 39.4 m-70 -145.24 64.32 10.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 -17.02 19.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -81.4 -32.69 32.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.07 -59.11 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.19 118.89 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -160.51 -168.36 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 77' ' ' LYS . 24.1 t -131.78 155.77 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -128.68 164.25 23.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.11 29.77 72.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.26 163.97 45.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.05 42.21 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.56 138.85 47.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 69.97 28.61 4.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mt -145.69 109.4 4.45 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.87 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.0 t80 -116.23 92.13 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -130.11 179.51 5.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.64 161.71 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.99 -29.23 8.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 p -66.4 -10.27 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -98.3 -52.23 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 107.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.7 m-85 -44.8 139.96 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.67 -179.78 11.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.75 -49.27 50.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.01 -32.35 5.43 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -57.17 -51.26 70.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.603 ' CD2' HG21 ' A' ' 12' ' ' VAL . 34.4 mt -46.6 -67.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -41.67 -59.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' GLU . 10.5 mtpt -40.48 -52.86 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 61' ' ' TYR . 80.8 mt -58.68 -47.19 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.56 HD12 HD23 ' A' ' 8' ' ' LEU . 3.4 mt -56.37 -40.94 69.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.07 -32.88 70.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.31 11.22 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -71.28 -6.34 61.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -9.13 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -114.75 -13.75 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.404 HD12 HD21 ' A' ' 15' ' ' LEU . 7.5 mt -50.84 155.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' HD3' HG23 ' A' ' 79' ' ' VAL . 3.6 tmtt? -147.57 142.94 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.8 m-85 -119.2 118.87 32.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 79.7 t -102.85 129.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.58 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.3 mm -111.66 75.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -33.86 73.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.6 mtp180 -145.32 91.43 5.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.95 -31.17 6.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -46.88 -43.98 19.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' ' 82' ' ' ARG . 13.0 mt -48.83 -37.84 20.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.658 HD22 ' HG2' ' A' ' 33' ' ' PRO . 23.6 mt -65.02 -39.51 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 88' ' ' HIS . 11.2 m -52.74 120.2 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.475 ' CB ' ' O ' ' A' ' 87' ' ' THR . 2.7 t-80 86.56 91.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -178.93 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 m -137.39 150.87 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.6 p -118.91 77.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.49 81.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.4 t 53.01 79.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.7 p -117.61 124.38 48.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.39 94.54 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.25 20.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.466 1.771 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.4 t -81.84 -57.37 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m -87.64 162.51 17.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.09 88.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -112.22 171.12 7.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.73 100.82 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -124.24 -56.74 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.29 141.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 118.45 171.05 15.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 70' ' ' ILE . 15.6 mt -37.6 -66.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.5 mtt180 -36.82 -60.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -50.53 -56.86 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.9 mtm -51.75 -67.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.4 t -41.84 -42.43 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -50.09 74.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' MET . 13.2 mm-40 -65.15 -44.86 87.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -44.32 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.4 m-85 -56.89 -43.73 81.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 m -51.68 -49.54 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 4.4 ttpt -62.71 -67.22 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -42.48 -57.14 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.756 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 19.4 t80 -47.22 -40.23 15.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -67.08 -46.66 73.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -44.48 -58.33 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.5 -39.15 75.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 85.4 mt -70.96 -15.72 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.77 52.19 40.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.15 160.11 25.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 m -88.59 -45.7 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.66 167.42 16.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.51 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -138.43 169.6 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.22 122.15 32.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG22 ' CG ' ' A' ' 20' ' ' PHE . 59.1 t -69.0 113.56 17.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 72.95 4.48 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -43.19 -29.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -60.65 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -51.12 -44.38 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.0 m-85 -66.45 -24.27 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -41.37 16.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.98 -10.85 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.7 m-70 -144.18 64.1 12.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 -21.3 16.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -81.67 -28.6 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -97.55 -62.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.401 HD13 HD21 ' A' ' 86' ' ' LEU . 37.4 mt -96.1 115.83 28.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 4.2 p90 -156.84 -171.58 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 77' ' ' LYS . 53.2 t -129.09 151.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HG2' ' CE2' ' A' ' 45' ' ' TYR . 52.0 mm-40 -123.97 162.26 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.42 29.72 71.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.29 164.15 47.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.51 31.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.6 138.85 57.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.53 29.25 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.85 111.13 4.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -168.86 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 33.6 t80 -115.28 92.9 4.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 178.18 6.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.59 160.12 20.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.01 -21.16 16.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -71.54 -6.35 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 63.9 m95 -104.32 -57.56 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.5 m-85 -37.83 134.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -63.83 179.8 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.49 -48.93 65.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.67 4.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mtt-85 -56.3 -51.72 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.609 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.1 mt -47.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.6 mtpt -39.39 -54.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 ' CE1' ' A' ' 61' ' ' TYR . 82.2 mt -59.56 -46.37 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.61 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.44 -40.82 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.57 -39.66 80.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 75' ' ' ARG . 32.7 m -99.14 8.54 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -67.21 -8.22 49.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -93.81 -12.52 28.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 6.0 ptm180 -112.53 -8.36 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.486 HD12 HD21 ' A' ' 15' ' ' LEU . 5.6 mt -55.25 154.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -147.43 141.29 25.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.4 m-85 -119.5 118.71 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.552 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 71.3 t -101.61 132.23 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm -113.32 74.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.95 -43.6 86.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB2' HD12 ' A' ' 85' ' ' LEU . 26.5 mtt180 -136.27 90.47 17.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.01 -35.26 3.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.0 -36.58 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 82' ' ' ARG . 48.6 mt -51.16 -44.41 61.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD22 ' HG2' ' A' ' 33' ' ' PRO . 29.8 mt -61.62 -42.58 99.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 88' ' ' HIS . 0.5 OUTLIER 51.94 175.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 87' ' ' THR . 0.5 OUTLIER -68.2 152.19 45.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.563 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.9 155.29 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 t -112.43 141.89 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -128.03 144.97 51.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -158.19 131.52 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 p -168.68 127.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.1 t -137.75 136.71 37.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.95 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.09 106.95 0.3 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.779 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.18 114.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -50.36 157.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 29' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' N ' HE22 ' A' ' 14' ' ' GLN . 77.3 p -160.55 141.26 11.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.16 160.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.57 -118.31 0.82 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p 39.45 80.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 0.0 110.032 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p 177.95 -48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -115.96 114.02 3.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 70' ' ' ILE . 15.0 mt -38.14 -65.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 74.9 mtm180 -36.97 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -57.23 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtm -49.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 66' ' ' LEU . 38.2 t -48.22 -48.84 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -53.11 -40.97 64.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.431 HE22 ' N ' ' A' ' 2' ' ' SER . 5.1 mm100 -74.73 -43.4 55.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.05 -62.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 26.7 m-85 -57.42 -50.57 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.0 m -44.24 -37.24 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -76.24 -67.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.7 mmtt -43.5 -27.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 8.9 t80 -71.42 -56.34 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -53.94 -40.75 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.07 -62.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.36 -33.12 69.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 87.4 mt -84.23 5.48 26.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 49.7 58.87 7.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.612 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 1.1 t -129.33 142.86 50.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -78.46 -50.43 11.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -77.57 158.84 29.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HB3' ' N ' ' A' ' 1' ' ' GLY . . . -77.57 157.67 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -142.17 169.28 17.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.56 34.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.4 t -79.39 114.32 44.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.96 76.16 3.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -46.61 -23.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.32 -60.07 3.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -49.31 -38.86 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 9.1 m-85 -74.43 -24.87 59.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -39.57 20.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.4 57.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -149.78 65.62 7.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.622 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.09 16.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -80.93 -31.15 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.4 m-20 -92.3 -60.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.85 122.82 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.9 p90 -162.05 -175.36 4.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.3 t -127.87 145.16 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.29 171.01 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.53 29.73 71.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -87.61 164.04 36.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.54 42.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.53 138.6 49.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 70.08 28.99 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.25 110.12 4.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 45.5 t80 -119.6 96.23 5.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.01 170.66 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.86 158.15 1.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -25.53 11.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -67.59 -9.26 41.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.83 -55.86 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 108.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.2 m-85 -39.24 139.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.07 -179.9 12.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.2 mp -66.52 -48.98 54.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.3 mtt85 -57.13 -49.37 76.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 12' ' ' VAL . 32.6 mt -47.82 -69.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -42.37 -58.14 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' GLU . 33.5 mtpt -39.18 -50.04 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 79.9 mt -62.45 -46.32 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.564 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.6 -39.64 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -60.65 -31.46 70.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 m -111.09 14.61 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -76.74 2.14 60.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.31 -9.89 21.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -115.01 -15.46 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -46.59 156.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -147.64 148.58 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -122.96 111.92 17.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.1 t -94.96 125.07 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.508 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -108.13 72.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.611 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.9 mmpt? -54.38 -45.17 72.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -136.25 91.98 16.22 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.95 -30.48 7.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.4 pt-20 -43.83 -46.95 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -44.79 -41.21 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.94 -39.42 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.4 m 60.47 146.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.402 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -67.33 113.39 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.33 145.02 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -112.7 153.52 27.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 91' ' ' THR . 5.5 t -174.11 59.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.16 104.5 5.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.3 m -88.75 170.8 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 t -123.35 118.19 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.42 -179.03 9.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.32 33.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 m -122.3 87.35 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 t -112.32 121.65 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.1 107.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -142.36 -52.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.87 65.71 0.06 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.85 145.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 0.8 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.59 -65.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -171.56 124.19 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.577 HD23 HD12 ' A' ' 70' ' ' ILE . 13.1 mt -37.66 -63.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -37.95 -61.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -59.18 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.0 mtm -48.51 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD2' ' A' ' 66' ' ' LEU . 22.0 t -43.84 -47.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -51.16 63.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -64.14 -43.6 94.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.1 -62.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.1 m-85 -58.67 -41.18 85.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -53.19 -52.38 59.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -61.03 -69.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -40.83 -55.26 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 13.3 t80 -49.81 -45.48 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -61.89 -49.65 75.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -40.34 -58.06 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.04 -37.54 71.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 81.0 mt -72.88 -17.5 61.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.24 52.58 21.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.75 164.38 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -91.56 -49.74 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.54 167.57 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.31 154.94 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -135.34 169.27 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.55 124.13 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG22 ' CD2' ' A' ' 20' ' ' PHE . 55.4 t -72.13 114.3 28.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD3' ' CE2' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.98 80.37 2.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -49.87 -21.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.17 -50.71 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -56.94 -28.13 61.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.0 m-85 -86.36 -25.94 25.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -35.39 38.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.49 -10.77 45.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -151.93 65.32 6.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.36 15.97 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.74 -22.62 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 30.6 m-20 -99.42 -59.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.93 118.12 36.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.1 p90 -158.07 -174.87 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 77' ' ' LYS . 54.1 t -129.17 139.61 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -113.01 169.52 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.58 29.56 72.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -88.15 163.87 35.5 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.542 0.79 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.78 41.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.85 139.92 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.16 29.1 3.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -144.82 110.58 4.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.99 2.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 21.5 t80 -108.52 90.22 3.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.75 174.56 9.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 162.46 5.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.02 -22.26 14.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -7.36 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -103.73 -53.53 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.62 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.0 m-85 -42.87 135.7 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.28 -179.73 8.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.0 -48.7 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -33.0 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 14.2 mtt180 -56.96 -53.71 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.615 ' CD2' HG21 ' A' ' 12' ' ' VAL . 28.3 mt -43.89 -64.14 0.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.3 mt-10 -47.11 -58.28 4.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mtpm? -39.74 -49.69 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 61' ' ' TYR . 81.5 mt -63.66 -46.73 93.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.577 HD12 HD23 ' A' ' 8' ' ' LEU . 4.1 mt -55.63 -39.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.63 -40.99 89.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.41 15.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -74.61 -0.22 58.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.5 -14.27 20.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.39 -8.53 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 69' ' ' ILE . 8.7 mt -55.47 155.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 13.8 ttpt -147.64 150.56 34.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 20' ' ' PHE . 5.8 m-85 -126.31 111.03 14.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.617 HG12 ' HG2' ' A' ' 81' ' ' LYS . 88.0 t -95.3 124.75 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.0 mm -105.54 71.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.617 ' HG2' HG12 ' A' ' 79' ' ' VAL . 5.8 mmpt? -53.21 -44.21 67.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.523 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.7 mtt180 -136.74 91.84 15.23 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 -31.13 6.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -48.36 -40.84 26.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 82' ' ' ARG . 52.6 mt -47.43 -36.83 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.69 -43.17 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m 62.38 126.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -64.78 147.2 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.9 t -135.55 102.32 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 t -70.62 137.1 49.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.6 m -148.25 -57.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 39.8 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 93' ' ' VAL . 7.6 p -101.51 114.47 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.93 148.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 161.99 120.03 0.52 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.19 21.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 m -125.57 148.96 48.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.009 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 138.8 54.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -111.75 -56.2 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.3 105.35 10.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.71 135.53 45.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m 62.95 110.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.036 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.32 -70.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -167.68 123.19 1.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.7 mt -37.86 -61.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -42.47 -46.79 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -65.87 -59.3 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.0 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 66' ' ' LEU . 16.5 t -48.78 -40.79 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -67.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -47.02 -43.21 19.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -46.45 -64.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 25.0 m-85 -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.1 m -54.12 -49.09 69.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -63.98 -66.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -43.11 -48.35 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 28.3 t80 -56.39 -43.1 78.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -65.29 -42.02 93.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.91 -57.98 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.539 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -57.52 -40.85 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 83.2 mt -69.9 -15.82 63.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.78 58.29 4.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.601 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 16.5 t -130.85 157.05 43.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -88.09 -54.57 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 167.48 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.66 154.5 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -134.41 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.17 123.3 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG22 ' CG ' ' A' ' 20' ' ' PHE . 80.7 t -77.42 115.09 46.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.3 Cg_endo -74.99 73.77 4.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -47.04 -25.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -70.0 -51.53 31.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.95 -30.1 45.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.2 m-85 -81.45 -26.68 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -40.54 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.62 -13.29 56.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 75.2 m-70 -151.84 64.23 5.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.631 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 -27.02 10.43 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -73.22 -19.45 61.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -104.86 -55.84 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.94 115.91 31.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 9.0 p90 -154.96 -170.57 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 77' ' ' LYS . 80.9 t -133.16 140.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.36 167.49 10.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 29.77 75.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.94 164.17 45.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.04 30.92 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.09 140.43 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.71 28.93 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mt -145.59 110.8 4.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.6 t80 -117.31 92.2 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -127.04 -171.21 2.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.85 160.92 80.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.504 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 -19.24 18.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.9 m -75.22 -7.35 53.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.32 -52.95 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' HD11 ' A' ' 69' ' ' ILE . 5.4 m-85 -41.75 136.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.38 -179.75 6.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -65.99 -49.37 57.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 8.3 mtt180 -56.71 -50.8 71.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' CD2' HG21 ' A' ' 12' ' ' VAL . 29.5 mt -47.17 -67.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -43.87 -57.0 3.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 4.1 mttp -39.24 -54.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 61' ' ' TYR . 84.9 mt -58.42 -46.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.8 mt -56.66 -41.46 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -57.06 -36.88 71.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 m -107.2 15.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.09 0.13 59.51 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.97 -14.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 3.7 ptm85 -111.91 -9.37 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.445 HD11 HG23 ' A' ' 69' ' ' ILE . 6.3 mt -50.56 155.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.628 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -147.46 147.59 30.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 10.0 m-85 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.619 HG12 ' HG2' ' A' ' 81' ' ' LYS . 91.8 t -97.15 128.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.539 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.9 mm -109.59 72.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -53.2 -45.19 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -136.11 91.44 17.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.98 -21.13 16.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.09 -39.96 72.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 mt -50.34 -23.54 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.7 mt -85.09 -45.05 12.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.8 m -47.1 96.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -146.89 170.98 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.523 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.6 m -71.61 106.03 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.9 m -152.04 133.4 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -107.1 156.25 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.0 124.66 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.8 147.91 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 t -149.2 124.1 9.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.61 155.66 16.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.9 m -54.56 151.53 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.02 152.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.16 152.03 47.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.999 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -127.05 -57.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.07 169.94 20.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.94 -53.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -170.76 118.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 147.82 156.33 6.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 14.0 mt -36.99 -64.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 65.3 mtm180 -36.99 -62.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -53.9 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -58.42 5.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD2' ' A' ' 66' ' ' LEU . 23.7 t -55.15 -42.46 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.07 -41.76 79.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -73.35 -47.41 42.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tp -43.07 -62.3 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.2 m-85 -57.48 -48.38 79.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.1 m -47.12 -39.76 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 108.288 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -72.58 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -44.28 -33.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 10.5 t80 -66.42 -55.16 17.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.84 -42.68 72.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -47.77 -63.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.32 -33.27 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 82.5 mt -84.63 7.55 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.15 60.1 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.781 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 6.1 t -126.0 152.85 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 m -85.46 -52.01 6.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 166.6 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.94 155.77 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -139.41 170.18 16.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.26 136.39 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.4 HG22 ' CG ' ' A' ' 20' ' ' PHE . 86.5 t -84.44 114.1 52.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.02 74.39 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -45.43 -24.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -52.89 37.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 85' ' ' LEU . 60.7 mmtt -55.17 -36.17 65.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.6 m-85 -77.76 -24.93 48.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.69 -39.46 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.66 -9.81 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 68.1 m-70 -152.28 64.8 5.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.01 -20.4 16.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.7 -29.56 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 28.6 m-20 -94.62 -60.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -98.83 118.26 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.7 p90 -157.83 -173.82 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 55' ' ' PHE . 75.4 t -130.37 139.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -111.91 174.29 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.2 29.66 73.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.45 164.24 46.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.48 36.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.17 141.92 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.43 29.27 13.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mt -144.96 110.61 4.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.597 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 44.7 t80 -120.13 94.76 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -132.5 -176.65 4.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 157.94 58.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.95 -21.6 15.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.797 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.7 p -72.19 -7.2 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -103.47 -53.8 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 107.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 4.1 m-85 -40.29 140.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -67.39 176.72 22.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mp -64.62 -48.8 73.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.02 -31.03 6.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 16.2 mtt180 -58.74 -52.11 67.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 37.8 mt -45.49 -69.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -42.41 -56.91 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.7 mttp -39.08 -55.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 73' ' ' GLY . 83.6 mt -57.55 -45.39 86.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.4 mt -57.75 -41.48 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -60.47 -26.88 67.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.88 16.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -78.93 4.92 59.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -100.1 -13.29 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -112.62 -13.83 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 69' ' ' ILE . 7.6 mt -46.29 155.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.6 tmmm? -147.62 143.41 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.41 112.57 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 81' ' ' LYS . 87.4 t -95.05 126.17 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.4 mm -107.83 71.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.606 ' HG2' HG12 ' A' ' 79' ' ' VAL . 6.2 mmpt? -52.21 -45.11 65.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.9 mtt180 -140.62 94.74 8.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 -27.21 10.22 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' THR . 10.4 pt-20 -46.58 -48.02 19.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 82' ' ' ARG . 7.3 mt -45.91 -34.26 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 mt -69.61 -41.86 75.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 2.9 m 63.14 104.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.08 149.01 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.32 101.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m 61.72 111.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -146.75 156.7 43.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -170.7 84.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.68 170.83 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.16 109.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.0 176.93 16.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.08 13.88 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.7 t -172.31 155.22 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 p 52.45 178.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 64.22 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.48 123.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.78 65.34 0.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -168.98 100.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.08 175.33 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -52.87 121.1 14.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 70' ' ' ILE . 12.5 mt -37.38 -63.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -37.6 -62.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -55.74 13.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.6 mtm -52.17 -62.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 66' ' ' LEU . 25.0 t -48.27 -44.96 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.46 -42.17 73.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -73.65 -45.8 50.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -42.29 -63.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE2' HG13 ' A' ' 12' ' ' VAL . 25.8 m-85 -56.38 -47.68 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 34.7 m -46.86 -57.97 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 tptt -53.08 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 41.3 mmtt -39.86 -55.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 32' ' ' VAL . 15.2 t80 -47.73 -50.17 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.9 -48.69 72.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -45.57 -59.97 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -56.07 -29.63 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 98.7 mt -85.2 5.3 30.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.3 56.45 7.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.87 164.22 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -90.62 -49.17 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -90.82 167.92 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.79 159.47 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 18.8 mtpt -141.4 169.03 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.43 140.73 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 20' ' ' PHE . 90.1 t -88.91 113.63 56.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.2 Cg_endo -75.0 72.92 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -41.66 -27.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -65.94 -56.14 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -49.58 -38.14 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 7.3 m-85 -73.26 -29.71 62.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.42 -37.06 52.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.51 -12.81 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 88.8 m-70 -149.76 64.34 6.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.536 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -21.94 15.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -79.07 -28.62 43.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 68.8 m-20 -97.06 -56.75 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -99.78 119.72 38.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.0 p90 -162.91 -174.43 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG2' ' CE2' ' A' ' 78' ' ' PHE . 10.2 t -126.13 154.38 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.66 168.41 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 29.87 75.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -86.08 163.97 40.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.61 41.22 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.22 142.7 50.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t30 66.84 29.13 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mt -145.12 110.19 4.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 32.2 t80 -118.17 95.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -133.53 -175.71 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 160.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 -24.3 12.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -68.08 -8.6 39.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 23.3 m95 -101.7 -58.35 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.64 137.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -65.31 -179.9 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -66.05 -49.04 58.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.816 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 19.3 mtt180 -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.577 ' CD2' HG21 ' A' ' 12' ' ' VAL . 26.1 mt -46.6 -63.13 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.4 mt-10 -48.03 -57.53 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.4 mttt -39.71 -48.68 2.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 61' ' ' TYR . 79.7 mt -64.45 -46.54 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 8' ' ' LEU . 4.4 mt -55.91 -39.17 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.76 -37.05 80.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 m -104.54 14.07 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -75.08 -0.23 60.34 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -98.65 -9.67 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -115.42 -13.21 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 69' ' ' ILE . 7.2 mt -49.4 155.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -147.77 147.13 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CE2' ' CG2' ' A' ' 46' ' ' VAL . 7.8 m-85 -123.87 115.07 20.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.592 HG12 ' HG2' ' A' ' 81' ' ' LYS . 94.4 t -97.09 126.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 83' ' ' PRO . 2.3 mm -108.35 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.592 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -52.72 -45.83 67.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB2' HD12 ' A' ' 85' ' ' LEU . 30.6 mtt180 -136.38 92.49 15.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.522 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -75.01 -32.93 4.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' THR . 9.1 pt-20 -42.94 -45.56 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 82' ' ' ARG . 11.9 mt -45.13 -45.35 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.99 -38.66 83.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 16.0 m 59.7 85.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -56.77 133.5 54.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 91.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.8 p -86.73 169.46 12.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m 38.84 87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -105.53 12.5 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.0 p -165.68 148.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -57.6 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.9 160.78 9.19 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.04 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.4 m -156.84 134.27 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 p -161.43 156.28 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 p -142.62 143.61 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.31 85.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.59 151.21 6.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 170.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -89.4 133.04 34.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -175.13 125.34 1.07 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.9 mt -37.61 -64.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -37.56 -56.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -58.85 6.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.7 mtm -46.99 -58.63 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 22.3 t -53.71 -35.31 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.82 -54.66 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -41.67 -62.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 23.7 m-85 -58.35 -51.52 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.2 m -43.72 -41.28 4.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -71.33 -64.05 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -43.7 -39.47 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 7.5 t80 -59.33 -54.31 48.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -54.68 -42.71 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -48.26 -63.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -58.11 -32.15 67.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 90.5 mt -84.17 6.63 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 50.1 59.77 7.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.723 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.9 t -130.98 154.86 47.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -88.68 -53.36 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.17 167.94 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.14 157.37 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -141.55 170.11 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 136.13 33.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 16' ' ' PHE . 87.1 t -84.12 114.18 52.79 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.338 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' CD ' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -75.01 71.54 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -42.93 -26.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -60.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -48.71 -38.72 22.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.7 m-85 -72.77 -32.28 65.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -37.64 59.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.53 -11.95 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -146.37 65.28 10.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.17 18.14 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -83.26 -37.37 23.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -86.79 -61.86 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.592 HD13 HD21 ' A' ' 86' ' ' LEU . 12.9 mt -97.38 118.67 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 5.7 p90 -159.6 -169.68 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG12 ' HG ' ' A' ' 49' ' ' LEU . 25.8 t -129.35 155.22 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.43 164.97 20.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.97 29.82 75.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.1 mt -83.34 164.25 46.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 145.65 31.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.87 144.5 57.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.73 29.39 16.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -144.57 110.8 4.92 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.662 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 38.2 t80 -121.27 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 -175.12 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.56 156.7 76.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.03 -11.24 21.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 p -81.08 -8.19 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -103.54 -53.11 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' HD11 ' A' ' 69' ' ' ILE . 4.3 m-85 -39.35 139.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.42 176.36 19.06 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.3 mp -64.29 -49.53 72.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -31.14 6.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 17.0 mtt-85 -58.61 -51.28 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 8' ' ' LEU . 31.5 mt -47.54 -68.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.98 -56.62 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' GLU . 12.2 mtpt -40.26 -56.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' GLY . 97.6 mt -55.07 -44.66 75.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.7 mt -58.4 -41.31 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -61.29 -26.77 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 29.7 m -111.76 10.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -69.92 -5.35 52.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.09 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.28 -10.13 33.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 4.5 ptp180 -115.06 -12.19 11.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -50.62 152.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -147.63 143.38 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 7.2 m-85 -119.88 117.75 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 70.9 t -100.62 127.32 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.575 HG12 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -109.86 74.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -58.18 -40.57 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 44' ' ' LEU . 38.7 mtt180 -138.14 90.31 13.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.489 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -30.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.434 1.755 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.861 ' HA ' HG22 ' A' ' 87' ' ' THR . 8.6 pt-20 -42.45 -51.26 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mt -45.11 -40.35 6.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 44' ' ' LEU . 12.9 mt -70.08 -45.6 66.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.861 HG22 ' HA ' ' A' ' 84' ' ' GLU . 12.0 t -90.52 43.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -159.22 61.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.584 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -166.81 -69.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -54.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m 60.04 78.28 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.11 134.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 93' ' ' VAL . 5.1 p -111.14 120.08 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 89.23 3.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.76 112.35 4.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 174.77 12.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 t -125.57 -60.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 t 44.63 80.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.021 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.59 87.55 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.994 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -177.56 81.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.04 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.66 77.42 0.16 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 p -83.86 118.54 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.04 129.17 29.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 160.53 93.74 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.9 mt -38.24 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -38.69 -61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -58.06 8.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 mtm -47.72 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.606 HG21 ' CD2' ' A' ' 66' ' ' LEU . 24.5 t -45.05 -43.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.82 -44.92 86.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -69.48 -45.3 69.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -44.62 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' HG13 ' A' ' 12' ' ' VAL . 24.1 m-85 -58.02 -52.65 64.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 30' ' ' LYS . 52.4 m -44.02 -35.49 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -77.05 -70.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -42.31 -28.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.8 t80 -70.98 -51.4 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 26' ' ' SER . . . -57.45 -40.62 78.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -49.6 -63.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -55.45 -31.92 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 94.7 mt -84.52 7.28 20.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.52 58.91 6.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.589 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 3.6 t -129.22 152.27 48.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.73 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 m -85.23 -53.41 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -75.68 166.4 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.26 158.82 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 41.5 mtmt -141.91 170.74 15.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.63 131.63 36.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG22 ' CG ' ' A' ' 20' ' ' PHE . 46.9 t -80.42 114.41 47.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 20' ' ' PHE . 18.4 Cg_endo -74.93 76.16 3.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.83 -24.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -57.45 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -51.8 -36.96 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 8.4 m-85 -77.01 -25.97 53.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.93 -37.49 39.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.59 42.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 85' ' ' LEU . 58.9 m-70 -147.27 64.61 8.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.96 -21.73 15.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -24.42 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.63 -60.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD13 HD21 ' A' ' 86' ' ' LEU . 11.8 mt -101.07 118.08 36.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 10.6 p90 -159.45 -167.37 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' HG ' ' A' ' 49' ' ' LEU . 11.7 t -131.0 154.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -125.98 164.45 20.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 29.5 71.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 46' ' ' VAL . 13.4 mt -84.77 164.02 44.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.2 31.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -64.96 140.11 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 53' ' ' ILE . 27.7 m-80 70.23 28.49 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 52' ' ' ASN . 3.9 mt -146.24 110.01 4.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 40.1 t80 -117.86 94.73 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.7 175.51 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.54 161.86 3.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 -30.29 7.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -59.88 -15.35 20.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 72.7 m95 -94.18 -60.13 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD11 ' A' ' 69' ' ' ILE . 6.6 m-85 -37.59 137.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -66.21 -179.88 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.75 -48.5 63.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.05 -34.07 4.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 26.8 mtt180 -55.9 -53.11 60.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 8' ' ' LEU . 27.5 mt -44.63 -65.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.1 mt-10 -44.44 -57.91 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -40.98 -49.08 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 61' ' ' TYR . 94.2 mt -63.45 -45.7 97.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mt -56.93 -40.32 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.16 -36.85 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 m -103.77 10.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -73.17 -2.33 58.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -96.3 -11.54 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -114.2 -17.54 11.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.404 HD11 HG23 ' A' ' 69' ' ' ILE . 5.9 mt -44.29 154.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.432 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.9 ttpm? -147.29 145.15 29.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 9.1 m-85 -119.86 114.31 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.578 HG12 ' HG2' ' A' ' 81' ' ' LYS . 96.4 t -96.16 128.15 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.3 mm -109.36 73.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -57.21 -42.74 81.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.0 mtt85 -135.15 90.36 21.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.98 -27.87 9.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.55 -44.17 17.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 40' ' ' HIS . 33.5 mt -48.11 -49.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.62 HD21 HD13 ' A' ' 44' ' ' LEU . 11.4 mt -64.28 -41.12 97.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.4 m -60.95 126.26 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.463 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -167.02 173.93 8.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.7 p -175.15 159.52 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 91' ' ' THR . 77.0 p -141.68 88.33 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 91' ' ' THR . 6.2 t 32.54 54.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -59.58 -51.78 68.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 93' ' ' VAL . 1.5 p 34.96 42.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.81 159.81 14.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.62 171.7 29.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 78.68 2.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.99 140.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.2 93.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -123.6 139.77 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.14 -55.84 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.1 79.33 0.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.52 152.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -56.41 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 50.45 59.85 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' HB3' HD13 ' A' ' 66' ' ' LEU . 13.3 mt -37.68 -62.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -37.34 -61.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -58.18 7.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.8 mtm -47.36 -62.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 66' ' ' LEU . 19.5 t -48.97 -50.48 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.91 -45.81 51.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -69.66 -46.67 65.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.25 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 12' ' ' VAL . 22.0 m-85 -54.95 -49.66 70.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.9 m -47.77 -60.07 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.311 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 6.2 tptp -49.54 -70.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -41.16 -59.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 1.094 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.3 t80 -46.85 -42.49 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . -61.14 -43.78 98.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.67 -54.7 25.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 80' ' ' ILE . . . -61.2 -26.7 67.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.094 HD11 ' CZ ' ' A' ' 20' ' ' PHE . 91.5 mt -85.14 -14.03 48.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.34 55.22 22.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.06 156.98 33.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 m -86.02 -46.38 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.71 168.1 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.32 146.85 26.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -130.39 166.39 20.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.66 136.56 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG22 ' CD2' ' A' ' 20' ' ' PHE . 83.9 t -83.55 114.29 52.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.97 3.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -44.74 -25.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -66.66 -57.45 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -49.85 -37.58 31.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 6.0 m-85 -74.49 -28.21 60.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.36 44.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.95 -11.66 52.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' CD2' HD13 ' A' ' 85' ' ' LEU . 79.9 m-70 -149.14 64.14 7.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.98 -16.86 20.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -80.73 -38.84 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 43.4 m-20 -92.26 -55.04 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' HIS . 90.2 mt -97.46 117.47 31.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' OH ' HG11 ' A' ' 79' ' ' VAL . 9.2 p90 -166.08 -172.43 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.69 153.55 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -127.5 170.17 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.54 29.68 75.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -84.98 164.19 42.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.99 139.92 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 69.35 29.01 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mt -145.18 110.41 4.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -167.75 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 37' ' ' PHE . 36.7 t80 -114.01 92.56 4.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -132.71 174.77 9.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.76 165.07 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -74.96 -27.27 10.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -61.97 -25.83 67.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.1 m95 -83.3 -60.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.633 ' CE1' HD11 ' A' ' 69' ' ' ILE . 7.0 m-85 -37.59 134.17 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HB2' ' A' ' 65' ' ' ARG . . . -64.71 -179.36 6.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 mp -65.25 -48.46 68.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.06 -34.74 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' HB2' ' N ' ' A' ' 62' ' ' GLY . 11.1 mtt-85 -55.22 -50.19 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.583 ' CD2' HG21 ' A' ' 12' ' ' VAL . 27.0 mt -46.71 -64.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -46.05 -57.97 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' GLU . 6.4 mtpt -39.69 -52.77 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.633 HD11 ' CE1' ' A' ' 61' ' ' TYR . 90.6 mt -59.91 -46.08 94.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 8' ' ' LEU . 5.4 mt -55.75 -38.41 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.06 -34.89 75.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 35.4 m -104.63 9.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -68.36 -6.81 49.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -96.02 -11.1 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 6.6 ptp180 -111.6 -18.34 12.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 69' ' ' ILE . 7.3 mt -46.65 155.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.4 147.49 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 20' ' ' PHE . 3.8 m-85 -121.88 118.82 29.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.516 HG11 ' OH ' ' A' ' 45' ' ' TYR . 96.8 t -103.64 115.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.597 HG12 ' HB1' ' A' ' 23' ' ' ALA . 2.1 mm -101.48 73.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 79' ' ' VAL . 15.7 mttt -61.81 -34.28 75.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.717 ' HB2' HD12 ' A' ' 85' ' ' LEU . 18.0 mtt180 -139.2 87.43 13.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.74 -40.72 29.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 82' ' ' ARG . 42.5 mt -45.58 -34.96 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.81 -45.58 57.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 90.7 m -53.6 109.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 -58.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.48 80.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.2 p 40.04 -140.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.6 t -131.72 163.02 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -153.22 169.96 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -73.1 128.8 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.56 103.39 13.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.64 -165.5 3.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -86.08 151.96 23.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.7 p -156.39 125.46 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 0 0 . 1 stop_ save_