data_1v5j_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 1v5j _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 . . . . . 0.471 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 22.2 tp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -81.63 145.59 54.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 171.43 18.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 176.6 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.9 mtt180 -151.28 173.7 14.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.97 42.44 54.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.18 115.46 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.426 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.7 m -133.94 167.36 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -136.23 119.46 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.492 HG12 ' CE1' ' A' ' 26' ' ' HIS . 3.9 p -111.44 110.12 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -66.91 125.39 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.64 174.57 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.22 3.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -80.73 -12.53 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.25 -141.9 8.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 70' ' ' LEU . 35.4 t -128.88 119.93 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -93.65 134.74 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 8.6 mt -116.89 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.492 ' CE1' HG12 ' A' ' 17' ' ' VAL . 2.4 m170 -115.14 126.38 54.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 25.8 p90 -135.34 177.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -121.34 147.77 48.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 107.75 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -32.47 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.63 110.23 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -135.42 143.76 46.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.509 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -15.31 20.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 10.9 ttpt 177.94 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 17.7 ttm180 -125.76 146.12 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.579 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -81.79 134.75 35.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -31.65 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 145.64 157.18 7.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.579 ' CE1' HD22 ' A' ' 37' ' ' LEU . 46.5 m-85 -97.37 179.33 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.53 ' CG1' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -137.36 113.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.515 ' CD2' ' CD1' ' A' ' 25' ' ' LEU . 30.1 tp -84.95 119.31 25.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 2.4 mt-10 -123.68 115.4 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.33 -179.02 15.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CZ ' ' CE2' ' A' ' 51' ' ' TRP . 28.0 ptt180 177.44 154.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.74 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 48.7 mt-30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CE2' ' CZ ' ' A' ' 45' ' ' ARG . 60.9 m95 -57.99 105.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' CG ' HD23 ' A' ' 54' ' ' LEU . 4.8 pt-20 -95.71 129.05 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.09 99.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 52' ' ' GLU . 49.7 mt -64.48 -45.84 85.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.75 103.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.97 -20.88 16.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.55 97.69 7.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ALA . 93.3 t -126.18 130.15 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -37.22 131.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -74.1 -1.0 58.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.2 p -114.59 -19.67 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.52 149.14 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 p -121.04 4.91 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.79 173.09 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.7 tp -165.43 153.07 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.2 tp -100.27 139.69 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 42' ' ' LEU . 54.2 t -140.41 82.79 15.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.03 18.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.464 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -75.5 50.3 2.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.624 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.1 mt -112.81 159.14 19.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.6 mm -111.42 152.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 160.28 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.83 9.74 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 31.4 m -131.99 174.63 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -127.35 98.34 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -80.42 131.24 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.7 mt-10 -91.49 -178.2 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 72.0 m-85 -161.76 154.75 20.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 14.5 ptt180 -163.37 122.59 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -104.85 132.32 51.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.53 HG21 ' CG1' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -131.37 107.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.75 147.53 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 16.8 p90 -150.89 141.64 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -117.66 107.7 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.04 -113.03 1.26 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.86 58.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 0.804 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -84.32 148.47 26.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 83' ' ' PHE . 3.2 m -140.53 161.54 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 82' ' ' ALA . 5.0 p -124.16 160.24 28.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 4.2 m-20 -69.26 154.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.763 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 80' ' ' LEU . 53.0 p -41.22 165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -37.08 154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.7 m -80.84 138.87 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 78' ' ' PHE . . . -110.24 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.42 ' CB ' HD13 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -114.48 145.16 42.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -120.15 147.87 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -80.29 148.6 67.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.96 169.44 22.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.96 176.3 10.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.84 179.89 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.33 50.17 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 63.9 tp -94.56 127.39 40.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.9 m -144.53 167.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' CB ' HG12 ' A' ' 97' ' ' VAL . . . -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 26' ' ' HIS . 1.5 p -107.74 117.02 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.84 135.9 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -134.23 178.53 1.72 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.03 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -9.15 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 145.91 -144.85 13.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.494 ' HB ' ' CG2' ' A' ' 67' ' ' VAL . 42.2 t -117.66 139.87 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.797 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -115.64 127.71 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 78' ' ' PHE . 7.2 mt -108.74 127.18 53.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 17' ' ' VAL . 1.3 m170 -113.54 113.06 24.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.769 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.8 p90 -120.14 177.39 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -123.51 147.42 52.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.93 36.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 128.09 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.75 -36.74 70.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.42 111.72 23.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -129.12 142.35 44.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.97 -15.04 21.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt 174.2 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.71 150.3 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -88.54 133.21 34.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.0 -30.35 16.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 147.67 165.6 12.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.577 1.173 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.591 ' CE1' HD23 ' A' ' 37' ' ' LEU . 31.3 m-85 -106.88 177.79 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 83' ' ' PHE . 79.3 t -131.14 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -87.98 114.68 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' HD21 ' A' ' 42' ' ' LEU . 1.7 mt-10 -119.25 128.37 54.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.68 178.96 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 18.3 ptt180 176.16 153.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 4.6 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.423 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 96.5 m95 -65.38 105.2 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.8 pt-20 -95.09 107.0 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.01 104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 42' ' ' LEU . 66.5 mt -75.66 -45.56 36.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.13 106.03 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -43.09 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 107.65 19.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.5 t -126.34 129.44 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -36.63 131.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -3.44 55.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.9 p -114.21 -25.29 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 mm-40 -50.9 141.16 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -115.74 7.58 14.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.62 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -169.88 172.16 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -162.79 152.43 15.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 16.8 tp -91.69 141.68 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 m -139.13 70.85 41.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.98 20.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.12 -23.9 60.19 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 76' ' ' TYR . 2.5 mt -47.95 174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.503 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.2 mt -141.38 -172.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.74 19.58 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.29 165.39 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -125.22 97.32 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.701 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 4.0 m-85 -83.28 139.47 33.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.6 mt-10 -102.27 -176.6 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CE2' HD23 ' A' ' 25' ' ' LEU . 46.0 m-85 -159.54 155.68 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 5.7 ptt180 -164.24 122.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.769 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -103.32 139.19 39.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.09 110.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.07 146.63 45.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 20.8 p90 -152.39 133.53 14.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -117.23 106.62 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 25.09 93.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 m 90.94 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 78.1 m-85 -58.75 123.08 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.41 111.77 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.4 p -78.05 161.27 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 37.5 m-20 -69.28 154.65 94.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.04 110.06 3.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' PRO . 41.5 p -43.28 169.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -39.16 160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -90.63 132.75 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -122.46 144.51 49.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.13 165.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -126.66 164.96 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 49.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -82.27 146.59 54.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.04 170.79 19.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.6 mtt180 -154.51 -177.88 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.75 47.46 7.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 63.0 tp -92.31 127.64 37.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.3 167.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -136.05 122.88 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 26' ' ' HIS . 2.3 p -115.64 114.52 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -72.42 123.68 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.44 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -126.24 178.91 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -38.83 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -75.37 -12.28 60.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.15 -138.18 6.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 70' ' ' LEU . 91.4 t -131.21 121.59 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -96.85 131.88 43.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 9.9 mt -111.47 131.17 55.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.27 113.54 23.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.553 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.702 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 32.5 p90 -120.35 177.44 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.4 m-20 -120.85 149.79 51.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.87 42.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 120.99 6.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.65 -27.53 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -112.62 102.34 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -131.4 153.93 81.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -38.07 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 29.6 tttt -148.54 -106.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 39.2 ptt180 -119.06 151.44 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.56 115.19 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -76.92 -34.44 57.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.587 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.73 153.96 7.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.9 m-85 -100.55 176.87 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.3 t -129.5 106.6 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 65' ' ' LEU . 1.9 tp -84.63 116.26 23.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -120.76 120.58 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.1 175.59 16.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.8 ptt180 177.48 150.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.5 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 44.3 m95 -41.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.1 pt-20 -107.38 117.49 34.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.33 118.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' A' ' 67' ' ' VAL . 52.9 mt -83.79 -36.67 23.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -156.95 106.74 1.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 107.19 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ALA . 77.0 t -125.74 132.1 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -37.96 125.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.49 -5.88 56.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.9 p -112.74 1.55 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.99 159.57 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -133.32 7.4 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.14 171.38 9.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 42' ' ' LEU . 12.4 tp -166.45 153.94 9.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -98.88 135.23 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 54' ' ' LEU . 71.3 t -131.73 83.68 56.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.493 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.65 49.89 2.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD22 ' CD2' ' A' ' 76' ' ' TYR . 2.8 mt -113.46 159.39 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 3.7 mm -116.72 169.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 152.36 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.04 17.18 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 11.9 m -132.1 169.07 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -123.87 94.8 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.607 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.6 m-85 -81.67 126.76 32.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.7 mt-10 -91.7 -177.13 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 86.3 m-85 -162.66 136.81 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.2 ptt180 -144.49 122.64 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.7 tp -102.2 141.05 35.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.18 109.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -74.23 141.81 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -145.89 139.38 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.054 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 105.99 10.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 26.7 93.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.4 t 87.76 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 94.1 m-85 -58.06 117.46 4.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -116.99 113.16 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 7.1 p -76.29 160.01 30.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 51.1 m-20 -68.53 154.88 93.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 93' ' ' ASN . 26.8 p -45.51 173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -43.5 168.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -102.08 133.3 47.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.8 150.17 44.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 24.9 p30 -150.37 166.69 29.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.512 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -133.37 134.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -79.32 150.95 74.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.94 170.61 20.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.97 176.09 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.36 -175.49 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.7 46.02 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -87.94 126.02 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -149.16 168.51 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -133.86 153.03 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.514 HG12 ' CE1' ' A' ' 26' ' ' HIS . 1.9 p -148.08 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 135.17 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.59 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.2 p -138.73 -172.75 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.96 -31.05 6.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -91.64 -4.67 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' THR . . . 134.77 -167.63 23.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.16 120.31 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.76 131.03 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 42' ' ' LEU . 8.6 mt -107.38 127.47 53.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CE1' HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -113.82 122.6 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 35.4 p90 -128.73 177.4 7.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -122.2 150.54 57.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.0 149.79 37.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -58.63 -20.59 48.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 mt -108.46 108.23 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.9 t -129.64 142.35 45.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.05 -13.27 21.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 172.3 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 145.18 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -83.24 133.07 35.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.89 -33.66 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 154.68 170.61 20.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.594 ' CE1' HD22 ' A' ' 37' ' ' LEU . 85.8 m-85 -112.34 176.97 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.15 105.45 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 25' ' ' LEU . 29.1 tp -87.2 118.72 26.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -121.64 127.52 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.78 177.77 16.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 21.1 ptt180 176.49 153.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.713 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.5 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' ' NH1' ' A' ' 79' ' ' ARG . 57.7 m95 -55.23 125.06 19.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CG ' HD22 ' A' ' 54' ' ' LEU . 3.6 pt-20 -116.67 125.93 52.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.2 112.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD22 ' CG ' ' A' ' 52' ' ' GLU . 80.7 mt -78.7 -52.33 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -142.22 106.31 5.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.91 105.48 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ALA . 60.9 t -126.23 126.43 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -36.56 128.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.6 -3.04 39.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.9 p -109.11 -22.29 12.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 0.806 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 59' ' ' ALA . 1.4 mm-40 -58.15 151.52 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -124.52 -11.15 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 mp0 -147.17 172.01 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.487 ' CD2' HD22 ' A' ' 42' ' ' LEU . 12.5 tp -164.2 154.31 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -101.9 138.49 38.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 54' ' ' LEU . 53.6 t -140.29 80.41 19.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.36 20.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.444 ' C ' HD21 ' A' ' 70' ' ' LEU . . . -73.13 53.15 1.78 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 76' ' ' TYR . 3.9 mt -115.1 159.1 21.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.9 mm -113.34 156.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.66 157.22 16.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t0 66.97 16.78 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 33.9 m -133.9 173.79 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.13 94.21 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.5 m-85 -81.08 122.03 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -89.87 174.61 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CD2' HD23 ' A' ' 25' ' ' LEU . 73.6 m-85 -152.87 160.7 43.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.618 ' NH1' ' CE2' ' A' ' 51' ' ' TRP . 2.4 ptm180 -165.78 133.58 2.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.7 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.4 tp -115.44 137.67 51.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 2.0 m -136.39 112.65 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -73.71 141.39 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 39' ' ' GLY . 22.0 p90 -144.29 128.77 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.2 107.68 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.31 -111.11 3.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 -8.03 49.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -86.75 131.41 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.4 120.71 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 9.3 p -84.73 162.36 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.9 OUTLIER -72.32 156.61 90.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 111.03 3.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 61.5 p -45.54 172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.9 p-10 -39.68 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.68 128.24 41.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.86 149.46 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 35.4 p30 -151.17 167.66 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -124.01 166.65 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.028 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 33' ' ' VAL . 41.6 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 3.7 m -79.56 152.06 75.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.01 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.04 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.8 mtt180 -156.05 179.53 9.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 56.23 15.13 9.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -56.99 98.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 26' ' ' HIS . 4.7 p -125.64 168.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -132.86 164.51 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 4.5 p -159.91 102.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' C ' ' CG2' ' A' ' 19' ' ' THR . 2.4 ttt-85 -64.79 148.1 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.525 ' CG2' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -155.49 -177.65 0.77 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.97 -35.32 3.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -84.15 -20.18 32.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . 144.94 164.69 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -81.23 117.05 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 132.08 34.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 78' ' ' PHE . 11.2 mt -106.68 128.84 54.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.445 ' O ' ' O ' ' A' ' 13' ' ' GLY . 6.4 m170 -113.96 129.39 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.713 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -136.12 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -121.08 149.64 51.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.14 33.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.98 114.27 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.49 -18.76 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 32' ' ' LEU . 6.5 mp -107.16 96.16 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -120.36 145.37 40.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.98 -16.16 20.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt 177.22 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 150.93 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.61 HD21 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -89.0 129.78 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.4 t0 -87.55 -29.64 21.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.84 170.35 17.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE1' HD21 ' A' ' 37' ' ' LEU . 76.8 m-85 -111.67 177.49 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' A' ' 83' ' ' PHE . 64.9 t -133.31 105.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 25' ' ' LEU . 4.2 tp -84.32 120.61 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 1.2 mt-10 -125.85 124.83 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.61 177.32 17.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 178.15 147.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.433 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 85.6 m95 -57.32 111.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.7 pt-20 -103.93 114.77 29.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.25 117.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.4 mt -86.15 -35.29 20.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.5 106.35 1.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.429 1.752 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.66 106.52 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' ALA . 61.0 t -126.04 128.88 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -37.31 128.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.29 -8.99 63.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.5 p -108.08 -13.63 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 157.45 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.417 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 1.4 p -133.81 10.79 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -175.19 168.07 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 42' ' ' LEU . 16.3 tp -161.55 154.15 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 tp -99.16 132.09 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.0 t -129.59 81.91 68.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -8.26 19.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.466 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.26 50.24 2.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 76' ' ' TYR . 2.4 mt -113.01 161.97 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.439 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 2.2 mm -118.97 160.42 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.27 7.87 5.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 14.3 m -125.96 173.3 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.83 94.27 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.81 126.72 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.45 -177.97 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' A' ' 25' ' ' LEU . 65.7 m-85 -160.41 143.93 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.4 ptt180 -152.46 125.05 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.713 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.4 tp -101.59 136.81 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 89' ' ' SER . 43.1 t -129.42 105.3 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.96 135.31 41.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 19.9 p90 -139.5 141.83 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.21 104.06 8.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.25 90.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 t 91.04 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 5.3 m-30 -57.44 138.05 55.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -133.6 130.38 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.464 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 59.9 p -93.77 166.38 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -70.73 155.51 93.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 103.32 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' ASN . 65.7 p -40.52 162.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.03 151.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -84.49 149.87 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -139.13 141.25 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.8 p30 -145.86 155.81 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -121.99 142.85 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 27.3 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -79.56 150.31 72.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 164.84 32.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.98 13.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.5 mtt180 -150.42 -168.2 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.75 34.54 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -77.93 127.74 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' HIS . 2.4 m -152.0 168.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' CG1' ' A' ' 97' ' ' VAL . . . -128.78 168.72 15.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' NE2' ' A' ' 26' ' ' HIS . 9.0 p -162.39 108.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -68.95 129.15 39.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -132.44 -174.93 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 -37.14 2.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -85.12 -7.23 59.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 142.67 -161.77 27.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.2 m -113.85 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -82.55 148.97 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 mt -124.74 110.98 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.1 m170 -98.0 129.5 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.716 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 19.0 p90 -136.54 178.61 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -119.54 146.4 41.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.42 31.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.783 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.83 -33.55 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -91.65 113.96 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.51 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.8 t -135.37 143.22 44.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.51 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -11.46 21.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.801 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 6.9 mtmt 168.38 -85.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.61 156.34 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.593 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -91.31 133.77 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -92.17 -23.93 19.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 141.15 166.13 10.61 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.593 ' CE1' HD22 ' A' ' 37' ' ' LEU . 90.6 m-85 -108.2 176.86 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 83' ' ' PHE . 74.6 t -131.81 104.89 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -85.59 114.63 22.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.82 121.51 37.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -122.44 177.66 16.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 22.1 ptt180 -178.61 148.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 10.5 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 87.9 m95 -51.64 113.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -101.99 118.55 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.36 105.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 42' ' ' LEU . 47.2 mt -78.19 -52.42 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -142.64 105.02 5.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.99 107.69 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 59' ' ' ALA . 10.3 t -125.97 130.38 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -34.34 122.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.12 56.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.9 p -109.71 -8.98 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.2 158.67 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.446 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -135.51 7.49 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.628 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 55.7 mp0 -152.26 168.63 24.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -167.07 144.76 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tp -113.57 135.94 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' A' ' 70' ' ' LEU . 72.4 t -129.44 91.0 42.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.57 21.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.452 ' C ' ' CD2' ' A' ' 70' ' ' LEU . . . -75.57 53.05 2.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -110.31 158.08 18.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.2 mm -102.6 170.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -61.79 -126.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.5 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 10.9 t0 -56.22 85.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.531 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 10.6 m -156.87 169.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -125.95 92.56 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' CB ' HD11 ' A' ' 70' ' ' LEU . 3.1 m-85 -83.04 128.71 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 6.4 mt-10 -91.3 178.31 6.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 66.7 m-85 -161.62 138.78 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.98 126.29 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.2 tp -102.79 135.97 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 89' ' ' SER . 37.4 t -129.93 103.45 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.1 127.86 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.0 p90 -132.28 142.9 49.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -127.64 108.87 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.36 -98.31 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.24 5.62 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.22 132.24 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.444 HG11 ' CG1' ' A' ' 81' ' ' VAL . 11.4 t -122.05 124.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.48 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 32.6 p -86.77 166.96 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.47 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -71.48 152.75 93.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.03 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' ASN . 76.2 p -39.39 162.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 92' ' ' SER . 1.5 p-10 -35.35 151.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -84.47 133.44 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -118.78 146.64 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.502 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -150.66 162.72 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.51 137.23 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 30.4 tp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -86.44 145.54 40.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.06 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 171.29 18.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -142.78 176.38 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.11 43.07 24.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 2.5 tm? -82.66 129.33 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 3.7 m -150.07 167.96 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -137.32 125.72 23.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG12 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -113.97 121.5 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -74.85 119.06 18.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -115.59 171.92 4.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.73 20.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 -26.75 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.4 -142.29 6.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' HD12 ' A' ' 70' ' ' LEU . 45.2 t -130.87 112.36 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 3.1 tp -87.69 127.82 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 7.5 mt -103.77 132.48 49.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CE1' HG12 ' A' ' 17' ' ' VAL . 2.8 m170 -115.98 117.36 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CD2' HD11 ' A' ' 80' ' ' LEU . 23.2 p90 -130.89 177.62 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -120.92 149.45 50.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.4 26.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.01 113.28 3.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -37.73 87.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -84.25 98.68 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 30' ' ' PRO . 2.0 t -127.27 142.3 43.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 -12.49 21.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -126.33 174.75 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -98.75 105.7 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -33.14 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 58' ' ' VAL . . . 148.63 163.7 11.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 80' ' ' LEU . 7.0 m-85 -109.15 179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -132.02 104.14 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 25' ' ' LEU . 1.5 tm? -84.31 115.36 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -110.4 171.01 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.84 170.48 42.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 178.57 147.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 3.8 pm0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.489 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 93.1 m95 -65.28 138.66 58.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 7.2 pt-20 -128.64 109.99 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.34 100.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 21.6 mt -68.94 -40.01 79.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.16 106.8 2.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.13 107.83 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 58.3 t -125.77 131.16 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -39.17 127.75 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -9.07 61.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -112.05 -8.49 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.442 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 149.06 50.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -123.23 8.67 9.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -169.42 173.67 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 10.7 tp -165.1 154.07 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 1.8 tp -101.93 140.26 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 42' ' ' LEU . 35.7 t -142.7 81.87 12.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -10.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -69.77 53.06 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.621 HD21 ' CD2' ' A' ' 76' ' ' TYR . 5.9 mt -117.14 160.25 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.436 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.4 mm -115.45 163.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 159.98 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.69 6.69 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.436 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 32.3 m -129.02 174.9 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.77 96.51 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.621 ' CD2' HD21 ' A' ' 70' ' ' LEU . 1.8 m-85 -81.04 127.28 32.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.94 179.47 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' ALA . 56.6 m-85 -155.8 159.11 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.497 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 4.5 ptt180 -164.87 129.06 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.601 HD11 ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -102.64 133.44 47.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 41.1 t -127.53 98.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -73.83 144.06 45.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.527 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 18.8 p90 -148.37 143.9 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.69 107.59 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.15 4.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -1.71 57.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-30 -99.11 149.44 23.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 83' ' ' PHE . 3.4 m -139.64 161.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 82' ' ' ALA . 27.1 p -120.45 165.08 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 34.4 m-20 -68.94 158.41 86.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.481 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' ASN . 26.2 p -40.25 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -35.94 152.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 3.1 m -88.3 138.35 31.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -129.56 150.55 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.465 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.7 p30 -149.56 163.05 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.418 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -129.04 133.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 57.5 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.78 148.43 51.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.4 mtt180 -152.34 174.34 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 61.11 11.1 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -54.16 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -125.48 168.47 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -131.17 163.73 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 3.5 p -156.83 104.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' C ' ' CG2' ' A' ' 19' ' ' THR . 0.0 OUTLIER -65.87 145.33 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.522 ' CG2' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -155.34 -177.1 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -37.77 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -18.7 48.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 19' ' ' THR . . . 142.41 166.3 10.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -81.24 114.79 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -86.43 137.77 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 10.9 mt -111.43 134.97 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' GLY . 3.3 m170 -120.2 128.6 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.577 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.707 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.9 p90 -136.21 177.89 7.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -124.53 153.73 69.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 152.29 40.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.537 ' CG ' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.99 123.22 7.73 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.54 -19.22 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.9 mt -113.11 81.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.79 150.65 44.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -75.03 -33.94 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 13.8 mtmt -161.02 -104.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -113.41 147.93 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -82.67 121.03 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -20.2 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.637 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 143.21 159.48 7.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CE1' HD22 ' A' ' 37' ' ' LEU . 84.9 m-85 -102.04 176.8 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 83' ' ' PHE . 62.5 t -131.23 104.04 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 54' ' ' LEU . 2.7 tm? -85.45 118.94 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 1.6 mp0 -112.26 173.07 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.71 167.5 40.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 20.4 ptt180 -176.53 150.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.717 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 42.1 mt-30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -73.16 112.04 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 9.2 pt-20 -107.2 114.88 29.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.4 t -57.4 107.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 31.5 mt -77.13 -42.84 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.86 106.95 2.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.33 104.26 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.3 t -126.5 121.86 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -32.56 128.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.42 52.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.7 p -110.88 -17.5 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.1 160.03 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.422 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 18.4 p -136.72 9.79 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.591 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.45 169.99 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 tp -165.37 149.72 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -96.83 142.57 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 54' ' ' LEU . 60.0 t -143.19 77.06 16.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.71 20.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -72.95 53.64 1.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 76' ' ' TYR . 6.4 mt -116.79 158.96 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.3 mm -106.25 171.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.16 149.51 25.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.5 t0 72.8 8.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 4.0 m -121.6 170.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.47 94.93 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.717 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 2.1 m-85 -81.47 133.58 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.0 mt-10 -97.88 -177.66 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 95' ' ' ALA . 80.5 m-85 -161.53 158.89 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.0 ptt180 -165.83 129.94 2.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.707 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 7.0 tp -102.54 145.53 29.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 89' ' ' SER . 49.6 t -138.58 105.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.31 136.12 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.637 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 20.2 p90 -145.02 133.07 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -119.51 106.85 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.21 8.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.5 19.1 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.05 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 2.9 m-85 -113.3 140.77 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.63 138.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.464 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 43.7 p -103.09 166.12 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.36 155.85 92.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.0 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' ASN . 60.2 p -44.05 167.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.421 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.55 147.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -81.19 134.93 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.53 144.52 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.538 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.0 p30 -150.94 167.03 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.5 166.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 53.6 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 32' ' ' LEU . 56.5 p -86.46 141.25 34.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.99 176.54 9.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -154.31 -175.68 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.36 44.51 5.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 59.9 tp -88.71 125.16 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -146.94 169.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' ' CG1' ' A' ' 97' ' ' VAL . . . -129.56 147.69 51.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.556 ' CG1' ' O ' ' A' ' 17' ' ' VAL . 1.5 p -142.47 104.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 119.76 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.3 p -121.68 -175.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.93 -27.16 10.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -92.38 -17.91 24.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 19' ' ' THR . . . 150.88 -173.93 30.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.5 m -97.18 114.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.498 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -84.24 128.47 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 10.5 mt -107.04 113.97 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 2.2 m170 -100.32 120.84 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.67 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 20.6 p90 -128.66 171.92 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ARG . 2.7 m-20 -116.83 151.4 47.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 154.65 42.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 114.06 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 2.6 tt0 -65.04 -30.11 71.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.2 mt -111.79 108.52 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.513 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -135.89 148.68 66.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -32.73 5.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 33.1 mttt -150.07 -111.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -117.92 155.63 29.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.61 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -79.23 107.05 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -35.01 75.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.98 155.37 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 64.0 m-85 -100.93 177.53 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.7 t -132.0 106.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 65' ' ' LEU . 2.4 tp -83.91 116.61 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -123.61 119.63 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.94 -178.23 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 12.5 ptt180 179.38 146.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 12.4 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 94.9 m95 -61.43 121.52 12.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.4 pt-20 -110.08 109.43 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.6 t -49.8 104.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 52' ' ' GLU . 36.3 mt -71.45 -47.61 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -145.5 106.51 4.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.86 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.41 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' ALA . 94.5 t -125.66 129.09 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.13 124.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.31 -9.22 54.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -105.16 -13.49 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 146.23 54.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.83 9.23 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.644 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -172.45 173.45 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD2' HD22 ' A' ' 42' ' ' LEU . 12.7 tp -166.32 154.87 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 1.7 tp -100.62 139.5 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 42' ' ' LEU . 69.4 t -130.68 84.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.0 2.54 6.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.455 ' C ' HD21 ' A' ' 70' ' ' LEU . . . -79.06 27.04 2.37 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.556 HD23 ' CG ' ' A' ' 76' ' ' TYR . 3.0 mt -107.39 160.04 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.46 -155.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 157.4 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.3 21.37 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.414 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 18.6 m -136.81 156.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.545 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -117.61 92.93 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.556 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.1 m-85 -82.95 126.05 32.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 10.3 mt-10 -90.64 -177.89 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 80.3 m-85 -162.75 149.02 12.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 7.2 ptt180 -155.07 122.69 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.4 tp -102.08 140.22 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.32 109.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.18 136.94 42.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 10.1 p90 -142.22 134.08 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -116.83 108.13 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.44 -109.53 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.36 -13.96 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' ALA . 64.8 m-85 -86.15 132.6 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.08 142.1 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 5.3 p -109.41 158.53 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.6 m-20 -69.3 156.0 92.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.0 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 93' ' ' ASN . 46.5 p -45.98 176.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' SER . 9.6 p-10 -43.89 170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m -101.11 131.81 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -120.85 146.3 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.545 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.11 159.27 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -116.78 147.19 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 61.2 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.88 148.64 51.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.963 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.07 166.89 28.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.39 29.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -141.12 -179.23 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 50.16 35.05 25.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 2.2 tm? -80.42 115.15 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.59 168.01 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.502 ' HB3' ' CG1' ' A' ' 97' ' ' VAL . . . -132.92 122.31 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.585 HG12 ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -112.67 117.54 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -69.84 127.59 33.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -130.91 167.49 21.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.7 -13.32 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.2 -135.53 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 78' ' ' PHE . 2.9 t -131.69 122.96 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 5.0 tp -97.1 102.94 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -81.21 110.61 16.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.5 m170 -98.38 125.13 43.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.777 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.4 p90 -136.03 178.72 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -125.02 152.84 71.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.25 40.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.512 ' CG ' HD13 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.99 116.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.39 -10.06 59.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 mt -124.99 93.46 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.547 HG21 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.51 151.05 62.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.547 ' HD2' HG21 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 33' ' ' VAL . 17.4 mtmt -158.29 -104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.3 149.06 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.614 ' CD2' ' CZ ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.52 129.7 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.29 -20.2 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 132.7 159.2 9.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.614 ' CZ ' ' CD2' ' A' ' 37' ' ' LEU . 12.1 m-85 -102.4 178.9 4.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.578 HG13 ' CG2' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.07 106.93 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 25' ' ' LEU . 19.9 tp -74.54 119.91 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -124.27 113.24 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 177.62 16.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 179.87 148.66 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 3.2 pt20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -57.17 110.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.8 pt-20 -103.02 114.1 28.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.441 ' CG1' HG23 ' A' ' 41' ' ' VAL . 61.4 t -61.45 109.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 67' ' ' VAL . 29.3 mt -69.17 -40.51 78.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 105.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.7 t -126.29 133.09 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.29 123.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -67.34 -9.16 54.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.5 p -108.82 -12.79 14.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 159.61 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -130.52 3.69 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.643 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -170.67 173.1 5.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.0 tp -166.53 154.14 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 6.7 tp -93.73 142.99 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 25' ' ' LEU . 47.8 t -134.98 82.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.52 21.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.463 ' C ' HD21 ' A' ' 70' ' ' LEU . . . -77.04 53.1 3.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.565 HD23 ' CG ' ' A' ' 76' ' ' TYR . 1.5 mt -113.28 159.69 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.46 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.2 mm -112.37 160.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.16 145.27 26.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 72.46 27.8 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 14.5 m -141.05 173.82 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -127.04 94.78 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.5 m-85 -80.88 130.38 35.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.54 -177.8 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 23' ' ' VAL . 59.6 m-85 -163.54 140.33 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -154.11 127.09 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.777 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.5 tp -102.04 139.96 36.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.578 ' CG2' HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -124.92 103.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.82 110.08 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 11.5 p90 -121.23 139.95 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -126.55 105.15 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.9 90.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.3 t 89.21 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 88.7 m-85 -57.85 124.54 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -123.5 112.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.544 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 51.5 p -76.45 168.51 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -72.14 153.02 92.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.08 103.86 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 93' ' ' ASN . 37.5 p -36.76 156.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.2 p-10 -35.67 151.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -81.61 144.38 31.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -135.55 147.62 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -149.61 165.78 31.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -134.18 137.66 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.963 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 32.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -90.72 145.07 31.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.98 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.01 176.99 9.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -149.66 171.8 16.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.31 56.55 9.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -94.64 118.92 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -130.98 167.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.56 114.05 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.3 p -111.08 107.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' CG ' HG23 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -65.64 139.48 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.713 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 60.7 p -137.39 173.81 5.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.713 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -134.25 10.15 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 133.63 -148.19 19.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.542 ' CG1' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -132.91 124.21 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.47 104.63 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.1 mt -88.89 134.8 33.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -121.64 117.67 27.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.784 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -124.97 176.6 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.14 150.67 57.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.12 35.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.539 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.97 121.17 6.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.73 87.82 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.511 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -121.5 149.35 52.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -33.65 4.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.7 mtmt -150.9 -108.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 156.03 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.08 110.02 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -38.71 84.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.78 150.84 5.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 55.8 m-85 -96.7 177.11 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.543 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 1.2 p -134.65 111.72 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.21 110.47 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.5 mt-10 -116.44 115.18 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.75 177.61 16.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 6.9 ptt180 177.09 149.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.7 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 67.0 m95 -59.1 111.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.3 pt-20 -100.05 110.06 22.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.51 105.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 21.7 mt -64.56 -44.39 90.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -165.42 104.69 0.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.5 Cg_endo -74.97 -16.63 20.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.98 100.69 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.0 t -126.26 136.87 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -39.9 128.16 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.09 -9.71 72.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.0 p -107.88 -8.98 15.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.15 157.89 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.42 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 20.4 p -133.08 6.82 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.634 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 pm0 -167.84 164.57 14.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.7 tp -155.63 152.64 28.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 tp -113.47 128.39 56.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.544 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 71.3 t -119.78 105.18 43.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.2 Cg_endo -75.03 -11.69 21.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -54.8 -109.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.542 HD12 ' CG1' ' A' ' 23' ' ' VAL . 11.1 mt 46.56 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.612 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.4 mt -149.35 -150.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 149.05 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 7.1 m-20 62.34 41.18 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 19.4 m -156.33 155.48 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -114.28 96.17 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.4 m-85 -81.76 125.47 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.8 mt-10 -90.12 -179.15 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 77.9 m-85 -162.68 146.98 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -151.26 128.94 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.784 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.82 133.5 47.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.555 ' CG1' ' O ' ' A' ' 89' ' ' SER . 0.8 OUTLIER -125.68 105.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -76.61 110.55 11.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.9 p90 -120.39 129.01 53.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -113.27 108.0 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.89 -112.9 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.158 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -26.34 53.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.808 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' ALA . 84.0 m-85 -78.22 134.28 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.62 124.22 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.555 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 7.0 p -91.26 167.92 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.7 m-20 -78.2 157.13 78.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.01 110.26 3.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 35.7 p -44.33 170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 92' ' ' SER . 9.9 p-10 -39.03 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -94.48 134.74 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.48 155.85 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -149.9 143.56 25.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.546 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.5 m -128.59 158.1 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 45.5 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 m -88.93 145.35 34.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.99 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 179.35 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -149.43 168.7 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.28 71.71 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 63.6 tp -107.99 114.13 27.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.5 m -127.24 162.84 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . . . -131.04 109.37 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.581 HG12 ' CE1' ' A' ' 26' ' ' HIS . 2.6 p -98.05 100.95 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.53 127.57 32.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 1.5 p -128.39 -177.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -10.48 21.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -112.23 -10.51 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 143.76 -171.69 25.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.523 ' CG1' HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -105.5 114.43 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.5 OUTLIER -83.52 110.96 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -79.95 132.15 35.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.581 ' CE1' HG12 ' A' ' 17' ' ' VAL . 5.6 m170 -118.55 108.37 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 34.9 p90 -119.34 171.58 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.017 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.76 151.86 49.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.67 34.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.01 122.18 7.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.04 -12.71 60.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.9 mt -117.84 83.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.548 HG22 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -117.68 151.76 48.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HD2' HG22 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.97 -34.57 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.5 mttt -162.58 -101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -111.75 146.91 36.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -79.08 124.01 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.41 -24.24 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.59 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.5 154.88 6.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' HD21 ' A' ' 37' ' ' LEU . 43.7 m-85 -96.95 178.26 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.557 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 1.4 p -139.49 105.94 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 HD23 ' CG2' ' A' ' 67' ' ' VAL . 16.5 tp -78.73 125.09 28.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.3 mt-10 -127.86 116.91 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.84 -179.19 16.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 11.5 ptt180 174.47 152.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.731 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.773 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 6.3 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.538 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 70.8 m95 -63.48 101.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 3.7 pt-20 -91.62 117.55 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.28 105.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 8.7 mt -68.74 -52.49 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.86 101.75 1.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -75.0 -19.91 17.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.82 96.0 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' A' ' 59' ' ' ALA . 92.7 t -126.56 120.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -27.21 137.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 37' ' ' LEU . . . -81.0 11.1 44.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.8 p -127.03 0.54 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 8.7 mm-40 -76.81 153.05 35.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.15 1.33 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.619 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -167.45 166.94 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.9 tp -161.67 153.12 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.7 tp -99.38 139.35 35.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 25' ' ' LEU . 87.2 t -138.08 86.11 18.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.0 -21.33 15.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' PRO . . . -35.91 -43.31 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.611 HD23 ' CD2' ' A' ' 76' ' ' TYR . 2.5 mt -39.71 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.13 -153.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mtmt -128.2 136.94 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 1.4 t70 83.28 19.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.6 157.53 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -113.3 95.14 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.773 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 2.0 m-85 -84.02 136.49 34.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.0 mt-10 -95.15 179.0 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CD1' HD21 ' A' ' 25' ' ' LEU . 66.4 m-85 -160.32 149.14 17.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 6.0 ptt180 -159.97 128.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.15 143.15 32.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.557 ' HB ' ' CG1' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -130.61 105.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -77.21 109.83 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 12.7 p90 -120.01 138.22 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -125.86 106.47 9.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 24.5 94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 86.96 -61.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' ALA . 96.8 m-85 -58.15 119.49 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.68 112.03 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.539 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 26.9 p -75.95 166.82 22.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.11 155.68 90.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.473 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -74.99 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' PRO . 22.0 p -39.56 164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' SER . 7.6 p-10 -37.1 155.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -83.86 136.27 34.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 78' ' ' PHE . . . -108.48 125.64 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.471 ' CB ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -112.43 147.94 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -121.32 147.33 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.431 ' N ' HG12 ' A' ' 97' ' ' VAL . 5.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 33' ' ' VAL . 58.1 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -84.5 140.25 38.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 174.41 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.82 17.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -145.79 171.0 15.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 45.5 65.23 2.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 11.0 tp -104.57 115.93 31.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.8 m -131.61 149.57 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' HG11 ' A' ' 97' ' ' VAL . . . -111.48 117.97 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' NE2' ' A' ' 26' ' ' HIS . 4.1 p -106.96 108.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -66.69 123.48 20.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.4 p -125.77 169.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -113.34 -13.12 12.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.28 -147.01 16.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.543 ' CG2' HD11 ' A' ' 70' ' ' LEU . 5.8 t -125.12 118.46 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -96.56 123.64 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.773 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.31 109.17 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.3 m170 -92.28 109.03 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.5 p90 -118.01 177.4 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 108.047 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.93 147.96 45.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.15 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.62 -48.76 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -77.09 113.75 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -139.05 142.42 33.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.01 -14.39 21.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.8 -88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -135.14 173.46 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.79 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -34.33 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.576 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 157.26 156.08 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 72.5 m-85 -103.32 176.86 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 0.715 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.85 104.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 2.5 tm? -90.02 116.46 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -111.22 170.44 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.77 176.43 42.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 3.2 ptt180 178.23 147.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.629 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 10.9 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -60.59 124.41 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' CG ' HD22 ' A' ' 54' ' ' LEU . 9.0 pt-20 -109.64 127.3 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.3 102.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 42' ' ' LEU . 28.8 mt -71.47 -48.37 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.89 102.99 4.17 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.95 -44.99 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 59' ' ' ALA . 34.8 t -127.22 122.68 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -33.34 139.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.64 17.3 35.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -129.34 3.61 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 8.1 mm-40 -88.4 162.99 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -132.36 4.01 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.773 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.42 164.81 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.495 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -151.42 138.45 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 65' ' ' LEU . 3.6 tp -92.85 129.31 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 HG21 ' CD2' ' A' ' 25' ' ' LEU . 79.3 t -131.36 83.28 59.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.09 21.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -72.62 54.13 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD21 ' CG ' ' A' ' 76' ' ' TYR . 2.4 mt -114.71 159.2 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.1 mm -113.97 162.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.63 158.73 15.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 67.17 9.65 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.419 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 16.5 m -127.38 173.94 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.26 94.16 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' A' ' 46' ' ' GLN . 1.2 m-85 -81.84 125.94 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.53 -178.97 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CD2' HD13 ' A' ' 25' ' ' LEU . 54.5 m-85 -157.88 157.13 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -167.54 127.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.7 tp -100.62 149.95 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 38.5 t -140.28 104.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -75.57 136.52 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.8 p90 -143.98 134.69 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -122.34 107.17 11.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.56 -116.39 9.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.55 17.0 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.6 m-85 -112.39 130.53 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.16 125.48 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 10.0 p -88.49 161.04 17.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.5 m-20 -68.54 155.55 92.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 93' ' ' ASN . 28.6 p -43.48 172.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -43.12 171.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.474 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -106.43 129.77 54.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -125.74 151.04 47.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 17.1 p30 -150.96 168.41 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.484 HG11 ' CB ' ' A' ' 16' ' ' ALA . 1.1 m -123.39 165.78 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 67.2 p -82.05 141.54 47.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ASP . 2.0 mtt180 -158.98 171.7 19.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 59.52 13.95 25.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 17.5 tp -58.49 101.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 26' ' ' HIS . 7.3 p -123.1 150.11 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . . . -110.61 147.43 34.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.539 ' CG1' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -141.72 103.04 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 130.08 42.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.46 175.95 3.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.28 9.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -115.77 -16.77 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.73 -153.16 25.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' CE2' ' A' ' 78' ' ' PHE . 4.2 t -113.45 123.24 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.602 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 4.8 tp -97.84 102.43 14.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -80.68 109.43 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.7 m170 -96.07 109.22 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -116.89 177.78 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 108.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -122.58 150.81 58.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.73 28.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 111.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.47 -20.71 66.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' SER . 5.1 mp -105.56 92.15 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 30' ' ' PRO . 1.6 t -120.57 143.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -15.32 20.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -171.56 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -131.02 170.13 14.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -95.12 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -36.04 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.543 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 157.38 155.83 7.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 84.9 m-85 -102.73 177.03 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.74 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -135.83 106.54 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.497 HD12 ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -89.62 110.77 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' N ' HD23 ' A' ' 42' ' ' LEU . 4.5 mt-10 -112.88 128.96 56.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.64 -179.63 16.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.152 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -179.23 146.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.598 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 11.6 pt20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.532 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 95.2 m95 -57.06 105.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 3.7 pt-20 -101.01 102.2 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 43' ' ' GLU . 86.7 t -41.31 102.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.497 ' CD1' HD12 ' A' ' 42' ' ' LEU . 72.7 mt -67.86 -35.62 78.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -157.47 106.64 1.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.07 108.77 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 55' ' ' ASP . 94.5 t -125.83 127.92 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -39.05 128.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.44 -4.78 58.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.6 p -111.71 -3.42 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.53 140.57 38.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -113.13 2.23 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.615 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -166.37 163.4 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.0 tp -155.42 151.74 28.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 24.9 tp -91.01 148.02 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 2.8 t -142.0 82.51 13.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.78 20.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' LEU . . . -49.27 -55.2 13.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -39.11 158.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.62 -172.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 172.45 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.06 14.12 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.56 165.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -124.99 93.1 3.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.598 ' CE2' ' CD ' ' A' ' 46' ' ' GLN . 1.3 m-85 -83.57 146.09 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 13.0 mt-10 -104.22 -176.84 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 59.6 m-85 -160.11 156.24 26.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.532 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 6.0 ptt180 -166.81 124.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.791 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.1 tp -102.04 136.84 41.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 89' ' ' SER . 33.4 t -128.55 102.29 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -73.8 129.01 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.2 p90 -136.21 135.77 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -118.71 104.78 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.26 89.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.4 t 90.07 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 85.5 m-85 -57.88 124.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.72 131.0 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 24.6 p -96.51 161.06 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 18.7 m-20 -68.48 156.93 89.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.477 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.5 Cg_endo -74.95 101.89 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' PRO . 63.3 p -39.05 163.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.044 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -33.84 145.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.77 131.06 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -115.63 144.79 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 7.4 p30 -150.91 151.94 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 m -111.64 167.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 39.7 tp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 60.5 p -88.69 138.16 29.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.98 175.87 10.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 8.6 mtt180 -149.64 166.94 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.68 51.47 54.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.52 105.23 17.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -120.14 169.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -141.03 122.09 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.04 110.49 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' NH2' ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -72.5 148.09 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -151.16 -174.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -8.69 20.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.43 17.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 114.02 -148.83 18.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.52 HG23 ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -123.85 127.12 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 26' ' ' HIS . 1.8 tp -93.13 111.46 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 78' ' ' PHE . 9.0 mt -94.08 113.49 25.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.2 m170 -98.52 128.92 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 16.6 p90 -136.02 170.08 16.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -115.32 149.97 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 149.85 36.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 118.35 5.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.79 -19.61 51.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.47 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.49 HG22 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.34 151.59 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HD2' HG22 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.3 mmtt -142.19 -111.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -118.36 151.63 37.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 106.4 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -35.23 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.612 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.25 151.33 6.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.588 1.18 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 62' ' ' GLU . 54.6 m-85 -96.89 177.85 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.6 t -136.28 107.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 25' ' ' LEU . 51.2 tp -85.45 118.93 25.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -122.7 128.71 50.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.487 ' N ' ' OE1' ' A' ' 43' ' ' GLU . . . -130.91 -179.75 16.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 13.1 ptt180 178.78 146.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.9 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -62.45 137.86 58.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 1.9 mt-10 -123.31 124.72 43.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.59 92.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.8 mt -64.72 -37.57 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.4 t0 -157.92 102.81 1.76 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.35 108.21 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' A' ' 59' ' ' ALA . 53.3 t -127.06 130.6 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' CG ' ' A' ' 62' ' ' GLU . . . -34.26 150.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.27 -0.54 65.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -122.46 31.93 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.602 ' OE1' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -106.77 167.24 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -140.04 10.71 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.641 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 pt-20 -178.93 166.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 5.6 tp -159.38 154.31 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 14.5 tp -91.66 147.27 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.52 ' CG2' HG23 ' A' ' 23' ' ' VAL . 3.6 m -140.8 66.48 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.37 19.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -64.71 -17.82 63.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -44.98 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 0.786 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.8 mm -117.29 170.51 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 144.69 28.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.8 t0 69.95 36.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 15.0 m -153.95 163.06 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -120.9 96.05 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.3 m-85 -83.57 137.46 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 mt-10 -92.81 -177.85 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CD2' HD21 ' A' ' 25' ' ' LEU . 44.6 m-85 -158.82 144.29 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.6 ptt180 -155.63 122.29 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.39 136.58 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.65 107.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.4 143.62 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.66 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 8.3 p90 -145.26 133.51 21.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -123.03 145.32 48.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.93 -125.85 1.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.59 30.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.0 m-85 -119.77 159.77 23.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.02 126.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 4.0 p -91.64 157.91 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -69.38 154.9 94.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.94 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' ASN . 63.7 p -42.95 167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 12.0 p-10 -37.36 155.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.6 m -91.55 144.68 25.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.31 160.17 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.48 ' CB ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -150.62 156.61 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -142.44 166.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 57.3 p -86.47 140.96 34.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.03 173.45 14.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -148.88 175.35 11.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.6 43.59 53.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -86.07 118.96 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -138.73 169.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -139.98 113.96 8.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -109.7 108.98 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.51 ' C ' ' CG2' ' A' ' 19' ' ' THR . 3.8 tmm_? -66.9 145.9 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.558 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -155.57 -174.64 0.44 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -38.8 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -1.44 53.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' HG21 ' A' ' 19' ' ' THR . . . 123.05 173.03 13.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.545 HG12 ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.88 122.22 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -90.75 110.23 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 5.3 mt -87.65 124.94 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.496 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.8 m170 -112.87 125.65 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.683 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -131.97 177.46 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -124.18 150.89 64.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.82 37.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.93 121.54 6.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -100.48 89.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -122.96 149.39 56.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' HG21 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 8.8 mtpp -151.17 -107.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -116.94 152.22 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -77.72 103.93 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -36.72 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.639 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.36 151.74 5.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.57 ' CE2' HD21 ' A' ' 37' ' ' LEU . 70.2 m-85 -96.47 174.89 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -136.92 106.92 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tm? -81.12 115.56 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -119.31 123.24 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.87 165.29 18.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLU . 35.8 ptt180 -166.09 156.67 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.689 ' NE2' ' HH ' ' A' ' 76' ' ' TYR . 1.4 mp0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -49.82 110.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.57 130.14 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.82 95.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -65.84 -51.2 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 1.3 t70 -161.16 103.47 1.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.97 -29.19 8.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.24 102.14 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 64.7 t -126.67 121.7 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . . . -36.86 138.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.73 11.16 54.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -119.33 -1.77 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 8.5 mm-40 -84.16 161.27 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.98 8.43 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.6 pm0 -169.48 167.12 10.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.9 tp -153.59 154.55 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 12.4 tp -99.91 140.9 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.545 ' CG2' HG12 ' A' ' 23' ' ' VAL . 2.7 m -142.44 66.52 19.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -7.01 18.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -65.3 -19.12 66.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.587 HD23 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -41.24 161.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.8 mm -109.25 170.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -106.17 140.43 39.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 82.18 23.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 35.3 m -142.8 171.31 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -124.72 94.88 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' HH ' ' NE2' ' A' ' 46' ' ' GLN . 3.3 m-85 -81.87 134.88 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.0 mt-10 -95.52 -179.56 4.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.518 ' CD2' HD22 ' A' ' 25' ' ' LEU . 41.7 m-85 -158.87 138.86 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 4.0 ptt180 -147.4 126.51 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.3 tp -102.71 135.81 43.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -124.44 111.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -84.79 110.54 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.639 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 15.8 p90 -120.72 134.15 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -116.37 104.29 11.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.5 91.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.7 OUTLIER 90.41 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.051 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 3.7 m-30 -57.98 127.11 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.96 107.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.545 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 33.0 p -75.07 167.52 21.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -72.07 153.83 92.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.4 p -40.08 163.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.6 p-10 -37.36 155.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -88.09 142.45 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -127.55 149.97 49.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 45.2 p30 -151.0 166.92 29.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -143.06 134.0 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' CD1' HG13 ' A' ' 33' ' ' VAL . 20.2 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -69.42 142.39 92.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.5 Cg_endo -74.91 168.8 24.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.07 177.81 8.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.3 mtt180 -157.94 -178.58 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 54.04 18.5 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 36.2 tp -63.88 103.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 26' ' ' HIS . 9.3 p -125.88 166.13 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . -120.86 166.6 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.514 HG22 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -154.9 92.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 3.4 ttt85 -66.52 97.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.563 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -100.81 -173.68 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -8.06 59.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 144.67 -172.64 25.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.509 ' CG1' HD11 ' A' ' 70' ' ' LEU . 1.7 m -101.33 114.15 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -81.84 151.35 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' A' ' 78' ' ' PHE . 20.2 mt -125.58 122.12 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' A' ' 17' ' ' VAL . 13.1 m170 -111.34 119.5 39.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.698 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 33.5 p90 -124.19 173.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -116.82 147.23 39.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.83 25.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -49.69 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -76.54 115.73 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -138.86 142.59 34.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -12.53 21.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -177.17 -86.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -133.56 173.59 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.42 115.25 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.603 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 150.92 149.11 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.562 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.8 m-85 -97.97 176.16 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.47 104.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 54' ' ' LEU . 3.1 tm? -87.42 118.66 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt-10 -115.57 170.7 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.24 168.52 39.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 178.89 146.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 7.1 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -53.98 118.89 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -107.81 102.2 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.52 105.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 16.2 mt -75.09 -43.75 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -147.01 107.4 3.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.37 111.37 23.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.1 t -125.81 130.9 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.81 132.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.86 -7.84 71.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 p -109.85 -13.11 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.64 143.69 57.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.96 8.32 11.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.607 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -169.73 173.11 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 5.1 tp -165.61 152.03 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 2.6 tp -97.65 143.71 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 54' ' ' LEU . 49.5 t -143.12 78.33 15.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.66 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.441 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -71.45 50.49 1.05 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.9 mt -126.14 160.7 29.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.69 -169.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -115.42 151.03 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 4.9 t70 82.03 -4.63 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.84 167.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.563 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.15 95.31 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 1.5 m-85 -82.23 134.51 35.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 6.3 mt-10 -99.37 -176.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' HD22 ' A' ' 25' ' ' LEU . 75.9 m-85 -162.63 149.35 13.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -154.37 129.89 9.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.698 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.1 tp -103.33 138.78 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 89' ' ' SER . 98.6 t -132.16 101.37 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.511 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -74.86 136.68 41.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.2 p90 -143.06 139.52 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.16 121.22 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.34 -94.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 m -118.12 15.58 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.02 132.28 51.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.64 129.56 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 42.6 p -94.62 164.87 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -70.44 153.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.03 102.2 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' ASN . 69.0 p -39.51 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -35.67 149.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.32 128.85 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.42 140.73 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.563 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.4 p30 -146.28 166.69 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.466 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -124.3 158.62 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.435 HD11 ' CD ' ' A' ' 34' ' ' PRO . 50.1 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -84.59 154.48 62.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.06 165.46 31.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ASP . 7.4 mtt180 -149.8 173.73 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 49.09 51.7 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.89 117.6 29.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.76 168.9 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 97' ' ' VAL . . . -145.9 119.11 8.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 24' ' ' LEU . 1.2 p -119.66 104.94 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CG ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -66.64 140.34 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -141.83 -178.28 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 1.3 7.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -130.3 19.1 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 119.17 -142.52 16.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG12 ' CZ ' ' A' ' 78' ' ' PHE . 1.3 p -134.77 127.1 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HG ' ' NE2' ' A' ' 26' ' ' HIS . 0.5 OUTLIER -87.92 102.06 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 3.0 mt -89.6 125.52 35.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -116.52 122.01 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.642 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 47.3 p90 -127.47 175.64 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -117.93 147.75 41.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.02 28.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.56 -27.33 62.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.13 107.01 19.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.1 t -129.53 142.36 45.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.93 -16.36 20.43 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.563 1.823 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 3.4 tttt 175.91 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' LYS . 13.8 tpt180 -122.36 144.92 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.43 130.39 35.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 4.8 t0 -86.83 -28.24 23.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.45 169.72 12.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CE1' HD23 ' A' ' 37' ' ' LEU . 56.5 m-85 -109.88 176.62 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 83' ' ' PHE . 53.9 t -132.43 106.2 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -80.86 111.53 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.513 ' OE2' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -114.0 118.71 34.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.14 15.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 22.8 ptt180 179.2 153.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 3.3 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 39.7 m95 -49.25 120.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' CG ' HD21 ' A' ' 54' ' ' LEU . 1.1 pt-20 -116.94 136.67 52.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.571 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.7 m -84.69 108.76 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 42' ' ' LEU . 55.5 mt -68.41 -36.35 78.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 8.5 t0 -153.0 108.16 2.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.78 9.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.4 104.87 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ALA . 80.7 t -124.88 129.12 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 62' ' ' GLU . . . -38.27 131.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.04 -2.01 57.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.6 p -110.68 -27.56 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 2.4 mm-40 -50.09 150.66 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -126.49 -2.92 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 39.8 mp0 -150.74 167.84 26.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 42' ' ' LEU . 8.8 tp -157.31 144.54 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.6 126.87 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 70' ' ' LEU . 76.7 t -117.72 101.48 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.519 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.1 Cg_endo -74.99 -11.23 21.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -56.39 -110.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 1.4 mp 45.62 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -146.51 -149.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -134.9 138.37 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 3.7 t0 75.85 36.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.6 m -155.71 151.34 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -103.31 96.86 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.652 ' CE1' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -81.53 124.15 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.3 mt-10 -91.06 179.73 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 23' ' ' VAL . 89.4 m-85 -164.22 134.63 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 9.5 ptt180 -138.65 130.86 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.7 tp -102.46 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 71.6 t -133.62 102.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.89 128.23 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 41' ' ' VAL . 31.6 p90 -130.51 144.69 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -127.59 104.91 8.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 29.01 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER 86.16 -59.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -57.96 127.61 32.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -124.15 118.74 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 19.4 p -76.26 166.88 22.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 54.7 m-20 -72.89 155.67 90.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.488 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.02 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' ASN . 16.7 p -45.02 167.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 14' ' ' LEU . 6.8 p-10 -38.44 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -88.1 130.98 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.23 147.26 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.482 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 4.7 p30 -142.23 141.48 32.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.506 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -127.13 154.63 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 42.9 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -84.42 137.6 39.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -145.0 169.44 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.57 41.91 82.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -84.29 109.01 17.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 2.0 m -129.6 168.2 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' CB ' HG11 ' A' ' 97' ' ' VAL . . . -132.9 109.1 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG11 ' NE2' ' A' ' 26' ' ' HIS . 3.8 p -101.46 116.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.48 121.55 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.456 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.6 p -118.66 165.89 15.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -117.62 -9.62 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.0 -138.8 6.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG2' ' CD2' ' A' ' 70' ' ' LEU . 2.7 t -129.16 115.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.597 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -89.8 114.51 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.624 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -92.72 111.61 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.597 ' NE2' ' HB3' ' A' ' 24' ' ' LEU . 6.3 m170 -97.85 125.48 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.554 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.2 p90 -135.67 177.48 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -123.03 154.02 64.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.45 35.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 124.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.12 -36.15 48.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.66 90.28 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG22 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.97 148.95 58.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' HG22 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.04 -33.43 4.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 2.5 mttm -149.23 -106.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -124.9 151.13 45.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -71.27 102.63 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 5.9 t70 -62.62 -36.24 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 163.2 151.51 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.591 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 93.0 m-85 -96.86 174.76 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.6 t -137.29 106.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 54' ' ' LEU . 3.4 tm? -83.17 129.46 35.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -131.31 122.46 26.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.56 177.18 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 177.72 146.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.2 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.452 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 59.9 m95 -56.29 130.01 42.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' HG3' ' A' ' 43' ' ' GLU . 5.1 pt-20 -131.9 137.12 47.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.51 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.5 m -79.38 113.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.564 ' CD1' HD12 ' A' ' 42' ' ' LEU . 11.6 mt -76.33 -20.48 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -165.63 105.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.62 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.69 108.35 19.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ALA . 40.3 t -126.73 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.27 124.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -5.66 44.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.8 p -105.21 -9.57 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.383 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.43 156.38 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -133.61 5.03 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.1 mp0 -152.01 167.29 28.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 9.4 tp -162.7 152.76 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -110.27 143.8 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.52 HG12 ' CD1' ' A' ' 70' ' ' LEU . 57.8 t -137.29 85.32 21.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.93 13.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -41.77 -35.88 1.59 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 23' ' ' VAL . 6.0 mp -39.0 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.67 -124.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -135.99 -91.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.539 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -66.2 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.3 m -158.05 164.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -121.25 92.45 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.1 m-85 -83.95 130.93 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 8.3 mt-10 -93.36 -176.85 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CE1' HD21 ' A' ' 25' ' ' LEU . 75.5 m-85 -160.09 147.85 16.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 11.2 ptt180 -159.78 124.85 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.749 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.3 tp -101.01 142.02 33.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 62.1 t -131.73 103.92 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.13 126.31 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -132.28 135.54 46.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 157.4 34.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 32.46 -96.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -126.66 22.65 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.958 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-85 -110.95 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.06 116.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 12.9 p -79.79 163.6 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 48.5 m-20 -70.52 156.38 92.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.489 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' ASN . 34.0 p -40.62 163.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.7 p-10 -36.52 151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -89.21 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -128.9 150.98 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.3 p30 -151.14 167.75 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.486 HG11 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.69 158.67 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 45.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -85.45 150.62 54.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -152.54 -177.45 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.51 41.16 6.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 66.5 tp -88.23 122.2 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.53 168.11 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 25' ' ' LEU . . . -133.45 113.02 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.61 ' CG1' ' CE1' ' A' ' 26' ' ' HIS . 2.2 p -103.31 111.4 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -67.53 124.74 24.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.82 177.02 2.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.469 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.03 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -73.83 -7.84 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.94 -136.85 7.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.609 ' HB ' ' CD2' ' A' ' 70' ' ' LEU . 8.5 t -127.91 127.6 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -104.59 121.06 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.55 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.5 mt -100.53 127.01 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.61 ' CE1' ' CG1' ' A' ' 17' ' ' VAL . 1.7 m170 -113.33 116.3 29.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.725 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.2 p90 -124.0 177.63 5.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -124.05 147.57 54.65 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 149.58 36.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.94 140.78 26.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.762 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -47.61 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mt -84.41 115.01 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t -132.85 144.12 51.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -15.71 20.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.48 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.65 138.18 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -70.58 131.4 43.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -86.92 -26.66 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.42 156.35 7.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.587 ' CE1' HD22 ' A' ' 37' ' ' LEU . 23.9 m-85 -98.2 177.94 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 1.1 p -133.75 111.36 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 25' ' ' LEU . 18.0 tp -80.26 120.76 24.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -124.81 111.27 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.7 177.5 18.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 30.0 ptt180 -178.57 153.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 63.1 m95 -65.91 111.06 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 13.4 pt-20 -101.19 130.3 47.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.26 100.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 59.7 mt -68.42 -49.82 57.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.89 105.35 0.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.99 -19.83 17.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.407 1.74 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.05 98.22 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 44.6 t -125.76 130.32 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' ' CG ' ' A' ' 62' ' ' GLU . . . -37.33 124.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -7.99 46.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.2 p -107.88 -18.47 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.478 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 2.3 mm-40 -57.67 160.18 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.411 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 17.2 p -136.97 9.62 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -170.89 172.18 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.487 ' CD2' HD22 ' A' ' 42' ' ' LEU . 9.6 tp -166.28 155.02 10.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 13.6 tp -93.8 139.61 30.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -134.62 65.25 66.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.0 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -7.02 86.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.609 ' CD2' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.63 159.88 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 2.1 mm -103.96 171.6 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -108.57 142.68 38.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 2.2 t70 82.68 18.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 18.4 m -138.42 179.5 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -125.55 94.79 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.4 m-85 -81.97 120.27 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 5.0 mt-10 -88.76 179.89 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 93.5 m-85 -161.77 157.35 24.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.3 ptt180 -162.44 126.51 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.725 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -100.86 141.74 33.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -129.53 105.98 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.51 111.07 9.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 11.6 p90 -124.57 138.77 54.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -131.27 119.95 22.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.05 -98.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -111.07 0.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.954 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' ALA . 39.1 m-85 -93.35 118.56 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.01 110.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 23.4 p -76.96 166.85 22.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 46.1 m-20 -73.04 154.11 90.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -75.05 110.71 3.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.9 p -43.65 173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -44.46 173.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 1.5 m -103.6 127.83 50.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.2 124.06 47.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.478 ' CB ' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -107.53 146.61 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -117.91 143.44 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.83 87.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 35.52 4.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.56 -164.09 14.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.86 103.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -143.44 158.23 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.36 56.66 0.47 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 22.2 tp -125.19 115.99 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -81.63 145.59 54.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 171.43 18.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 176.6 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.9 mtt180 -151.28 173.7 14.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.97 42.44 54.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.18 115.46 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.7 m -133.94 167.36 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -136.23 119.46 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.492 HG12 ' CE1' ' A' ' 26' ' ' HIS . 3.9 p -111.44 110.12 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -66.91 125.39 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.64 174.57 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.22 3.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -80.73 -12.53 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.25 -141.9 8.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 70' ' ' LEU . 35.4 t -128.88 119.93 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -93.65 134.74 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 8.6 mt -116.89 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.492 ' CE1' HG12 ' A' ' 17' ' ' VAL . 2.4 m170 -115.14 126.38 54.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 25.8 p90 -135.34 177.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -121.34 147.77 48.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 107.75 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -32.47 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.63 110.23 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -135.42 143.76 46.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.509 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -15.31 20.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 10.9 ttpt 177.94 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 17.7 ttm180 -125.76 146.12 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.579 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -81.79 134.75 35.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -31.65 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 145.64 157.18 7.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.579 ' CE1' HD22 ' A' ' 37' ' ' LEU . 46.5 m-85 -97.37 179.33 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.53 ' CG1' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -137.36 113.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.515 ' CD2' ' CD1' ' A' ' 25' ' ' LEU . 30.1 tp -84.95 119.31 25.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 2.4 mt-10 -123.68 115.4 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.33 -179.02 15.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CZ ' ' CE2' ' A' ' 51' ' ' TRP . 28.0 ptt180 177.44 154.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.74 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 48.7 mt-30 -83.9 131.58 34.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 37.22 -102.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 p -119.04 47.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -91.11 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.94 129.72 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CE2' ' CZ ' ' A' ' 45' ' ' ARG . 60.9 m95 -57.99 105.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' CG ' HD23 ' A' ' 54' ' ' LEU . 4.8 pt-20 -95.71 129.05 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.09 99.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 52' ' ' GLU . 49.7 mt -64.48 -45.84 85.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.75 103.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.97 -20.88 16.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.55 97.69 7.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ALA . 93.3 t -126.18 130.15 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -37.22 131.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -74.1 -1.0 58.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.2 p -114.59 -19.67 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.52 149.14 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 p -121.04 4.91 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.79 173.09 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.7 tp -165.43 153.07 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.2 tp -100.27 139.69 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 42' ' ' LEU . 54.2 t -140.41 82.79 15.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.03 18.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.464 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -75.5 50.3 2.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.624 HD21 ' CD2' ' A' ' 76' ' ' TYR . 3.1 mt -112.81 159.14 19.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.478 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.6 mm -111.42 152.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 160.28 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.83 9.74 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 31.4 m -131.99 174.63 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -127.35 98.34 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -80.42 131.24 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.7 mt-10 -91.49 -178.2 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 72.0 m-85 -161.76 154.75 20.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 14.5 ptt180 -163.37 122.59 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -104.85 132.32 51.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.53 HG21 ' CG1' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -131.37 107.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 89' ' ' SER . . . -72.75 147.53 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 16.8 p90 -150.89 141.64 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -117.66 107.7 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.04 -113.03 1.26 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.86 58.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 0.804 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -84.32 148.47 26.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 83' ' ' PHE . 3.2 m -140.53 161.54 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 82' ' ' ALA . 5.0 p -124.16 160.24 28.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 4.2 m-20 -69.26 154.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.763 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 80' ' ' LEU . 53.0 p -41.22 165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -37.08 154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.7 m -80.84 138.87 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 78' ' ' PHE . . . -110.24 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.42 ' CB ' HD13 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -114.48 145.16 42.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -120.15 147.87 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -111.09 149.49 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -157.65 63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -112.97 -30.67 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.74 6.34 5.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -56.52 158.86 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t 44.67 72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.85 -171.85 39.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.29 24.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.34 137.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -121.15 91.42 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -121.71 95.4 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.3 160.51 28.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -111.5 154.28 24.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -106.99 140.31 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.73 11.81 3.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.4 tp -104.99 119.91 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -80.29 148.6 67.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.96 169.44 22.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.96 176.3 10.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.84 179.89 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.33 50.17 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 63.9 tp -94.56 127.39 40.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.9 m -144.53 167.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' CB ' HG12 ' A' ' 97' ' ' VAL . . . -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 26' ' ' HIS . 1.5 p -107.74 117.02 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CZ ' HD11 ' A' ' 102' ' ' LEU . 5.8 tmm_? -70.84 135.9 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -134.23 178.53 1.72 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.03 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -9.15 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 145.91 -144.85 13.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.494 ' HB ' ' CG2' ' A' ' 67' ' ' VAL . 42.2 t -117.66 139.87 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.797 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -115.64 127.71 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 78' ' ' PHE . 7.2 mt -108.74 127.18 53.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 17' ' ' VAL . 1.3 m170 -113.54 113.06 24.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.769 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.8 p90 -120.14 177.39 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -123.51 147.42 52.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.93 36.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 128.09 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.75 -36.74 70.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 mt -93.42 111.72 23.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -129.12 142.35 44.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.97 -15.04 21.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt 174.2 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.71 150.3 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -88.54 133.21 34.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.0 -30.35 16.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 147.67 165.6 12.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.577 1.173 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.591 ' CE1' HD23 ' A' ' 37' ' ' LEU . 31.3 m-85 -106.88 177.79 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.49 HG22 ' CE2' ' A' ' 83' ' ' PHE . 79.3 t -131.14 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -87.98 114.68 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' HD21 ' A' ' 42' ' ' LEU . 1.7 mt-10 -119.25 128.37 54.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.68 178.96 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 18.3 ptt180 176.16 153.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 4.6 mt-30 -89.57 149.49 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 35.49 -102.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.19 33.63 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -172.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.27 141.27 20.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.423 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 96.5 m95 -65.38 105.2 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.8 pt-20 -95.09 107.0 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.01 104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 42' ' ' LEU . 66.5 mt -75.66 -45.56 36.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.13 106.03 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -43.09 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 107.65 19.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.5 t -126.34 129.44 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -36.63 131.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -3.44 55.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.9 p -114.21 -25.29 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 mm-40 -50.9 141.16 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -115.74 7.58 14.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.62 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -169.88 172.16 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -162.79 152.43 15.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 16.8 tp -91.69 141.68 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 m -139.13 70.85 41.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.98 20.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.12 -23.9 60.19 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 76' ' ' TYR . 2.5 mt -47.95 174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.503 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.2 mt -141.38 -172.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.74 19.58 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.29 165.39 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -125.22 97.32 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.701 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 4.0 m-85 -83.28 139.47 33.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.6 mt-10 -102.27 -176.6 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CE2' HD23 ' A' ' 25' ' ' LEU . 46.0 m-85 -159.54 155.68 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 5.7 ptt180 -164.24 122.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.769 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -103.32 139.19 39.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.09 110.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.07 146.63 45.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 20.8 p90 -152.39 133.53 14.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -117.23 106.62 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 25.09 93.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 m 90.94 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 78.1 m-85 -58.75 123.08 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.41 111.77 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.4 p -78.05 161.27 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 37.5 m-20 -69.28 154.65 94.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.04 110.06 3.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' PRO . 41.5 p -43.28 169.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -39.16 160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -90.63 132.75 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -122.46 144.51 49.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.13 165.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -126.66 164.96 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -111.04 156.95 20.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.24 73.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -113.99 -25.34 8.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.92 36.25 4.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -84.73 162.61 19.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 t -48.53 -42.85 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.59 -155.23 49.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.71 4.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 t -132.59 158.9 41.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.92 126.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 -57.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.8 33.93 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.51 139.19 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.96 135.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.14 -81.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.13 -32.39 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 49.0 tp -112.85 114.51 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -82.27 146.59 54.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.04 170.79 19.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.6 mtt180 -154.51 -177.88 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.75 47.46 7.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 63.0 tp -92.31 127.64 37.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.3 167.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -136.05 122.88 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.544 HG11 ' CE1' ' A' ' 26' ' ' HIS . 2.3 p -115.64 114.52 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -72.42 123.68 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.44 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -126.24 178.91 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -38.83 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -75.37 -12.28 60.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.15 -138.18 6.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 70' ' ' LEU . 91.4 t -131.21 121.59 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -96.85 131.88 43.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 9.9 mt -111.47 131.17 55.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.27 113.54 23.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.553 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.702 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 32.5 p90 -120.35 177.44 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.4 m-20 -120.85 149.79 51.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.87 42.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 120.99 6.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.65 -27.53 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -112.62 102.34 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -131.4 153.93 81.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -38.07 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 29.6 tttt -148.54 -106.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 39.2 ptt180 -119.06 151.44 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.56 115.19 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -76.92 -34.44 57.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.587 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.73 153.96 7.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.9 m-85 -100.55 176.87 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.3 t -129.5 106.6 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 65' ' ' LEU . 1.9 tp -84.63 116.26 23.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -120.76 120.58 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.1 175.59 16.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.8 ptt180 177.48 150.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.5 pt20 -124.67 169.57 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 30.25 39.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' GLN . 4.0 m 78.98 -56.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.042 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER 25.36 -144.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . -124.18 127.02 6.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 44.3 m95 -41.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.1 pt-20 -107.38 117.49 34.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.33 118.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' A' ' 67' ' ' VAL . 52.9 mt -83.79 -36.67 23.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -156.95 106.74 1.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 107.19 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ALA . 77.0 t -125.74 132.1 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -37.96 125.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.49 -5.88 56.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.9 p -112.74 1.55 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.99 159.57 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -133.32 7.4 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.14 171.38 9.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 42' ' ' LEU . 12.4 tp -166.45 153.94 9.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -98.88 135.23 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 54' ' ' LEU . 71.3 t -131.73 83.68 56.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.493 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.65 49.89 2.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD22 ' CD2' ' A' ' 76' ' ' TYR . 2.8 mt -113.46 159.39 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 3.7 mm -116.72 169.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 152.36 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.04 17.18 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 11.9 m -132.1 169.07 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -123.87 94.8 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.607 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.6 m-85 -81.67 126.76 32.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.7 mt-10 -91.7 -177.13 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 86.3 m-85 -162.66 136.81 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.2 ptt180 -144.49 122.64 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.7 tp -102.2 141.05 35.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.18 109.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -74.23 141.81 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -145.89 139.38 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.054 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 105.99 10.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 26.7 93.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.4 t 87.76 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 94.1 m-85 -58.06 117.46 4.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -116.99 113.16 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 7.1 p -76.29 160.01 30.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 51.1 m-20 -68.53 154.88 93.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 93' ' ' ASN . 26.8 p -45.51 173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -43.5 168.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -102.08 133.3 47.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.8 150.17 44.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 24.9 p30 -150.37 166.69 29.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.512 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -133.37 134.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.15 145.63 44.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.435 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 48.5 p -127.47 52.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -106.71 -17.59 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -103.07 39.66 2.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 99' ' ' THR . 4.1 mm? -91.16 127.26 36.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 t 67.86 -67.95 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' LEU . . . 131.62 132.72 3.39 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.62 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.49 -57.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.0 m -109.79 134.7 51.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -146.89 138.68 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.75 34.15 5.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.48 172.51 38.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.15 74.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -88.47 131.48 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 48.88 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -117.52 116.08 26.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -79.32 150.95 74.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.94 170.61 20.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.97 176.09 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.36 -175.49 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.7 46.02 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -87.94 126.02 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -149.16 168.51 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -133.86 153.03 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG12 ' CE1' ' A' ' 26' ' ' HIS . 1.9 p -148.08 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 135.17 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.59 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.2 p -138.73 -172.75 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.96 -31.05 6.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -91.64 -4.67 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' THR . . . 134.77 -167.63 23.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.16 120.31 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.76 131.03 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 42' ' ' LEU . 8.6 mt -107.38 127.47 53.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CE1' HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -113.82 122.6 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 35.4 p90 -128.73 177.4 7.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -122.2 150.54 57.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.0 149.79 37.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -58.63 -20.59 48.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 mt -108.46 108.23 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.9 t -129.64 142.35 45.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.05 -13.27 21.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 172.3 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 145.18 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -83.24 133.07 35.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.89 -33.66 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 154.68 170.61 20.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.594 ' CE1' HD22 ' A' ' 37' ' ' LEU . 85.8 m-85 -112.34 176.97 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.15 105.45 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 25' ' ' LEU . 29.1 tp -87.2 118.72 26.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -121.64 127.52 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.78 177.77 16.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 21.1 ptt180 176.49 153.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.713 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.5 mt-30 -91.59 137.51 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.41 -111.26 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 m -118.66 50.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.47 -176.18 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.65 129.59 12.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' ' NH1' ' A' ' 79' ' ' ARG . 57.7 m95 -55.23 125.06 19.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CG ' HD22 ' A' ' 54' ' ' LEU . 3.6 pt-20 -116.67 125.93 52.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.2 112.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD22 ' CG ' ' A' ' 52' ' ' GLU . 80.7 mt -78.7 -52.33 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -142.22 106.31 5.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.91 105.48 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ALA . 60.9 t -126.23 126.43 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -36.56 128.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.6 -3.04 39.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.9 p -109.11 -22.29 12.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 0.806 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 59' ' ' ALA . 1.4 mm-40 -58.15 151.52 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -124.52 -11.15 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 mp0 -147.17 172.01 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.487 ' CD2' HD22 ' A' ' 42' ' ' LEU . 12.5 tp -164.2 154.31 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -101.9 138.49 38.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 54' ' ' LEU . 53.6 t -140.29 80.41 19.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.36 20.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' C ' HD21 ' A' ' 70' ' ' LEU . . . -73.13 53.15 1.78 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 76' ' ' TYR . 3.9 mt -115.1 159.1 21.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.9 mm -113.34 156.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 99' ' ' THR . 0.4 OUTLIER -92.66 157.22 16.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t0 66.97 16.78 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 33.9 m -133.9 173.79 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.13 94.21 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.5 m-85 -81.08 122.03 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -89.87 174.61 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CD2' HD23 ' A' ' 25' ' ' LEU . 73.6 m-85 -152.87 160.7 43.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.618 ' NH1' ' CE2' ' A' ' 51' ' ' TRP . 2.4 ptm180 -165.78 133.58 2.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.7 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.4 tp -115.44 137.67 51.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 2.0 m -136.39 112.65 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -73.71 141.39 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 39' ' ' GLY . 22.0 p90 -144.29 128.77 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.2 107.68 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.31 -111.11 3.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 -8.03 49.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -86.75 131.41 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.4 120.71 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 9.3 p -84.73 162.36 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.9 OUTLIER -72.32 156.61 90.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 111.03 3.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 61.5 p -45.54 172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.9 p-10 -39.68 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.68 128.24 41.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.86 149.46 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 35.4 p30 -151.17 167.66 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -124.01 166.65 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.6 t -122.06 161.74 22.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.028 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 72' ' ' LYS . 6.4 t -157.74 31.37 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.2 p -76.03 -30.85 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.48 48.86 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.2 OUTLIER -108.31 136.47 47.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' LEU . 3.3 t 80.4 -63.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.04 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.37 145.99 3.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -144.12 156.99 44.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 m -154.92 110.62 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.36 134.87 15.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.27 34.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.39 -153.92 4.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.46 169.8 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 p -143.62 -176.58 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.81 -33.9 4.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 33' ' ' VAL . 41.6 tp -100.23 115.74 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 3.7 m -79.56 152.06 75.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.01 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.04 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.8 mtt180 -156.05 179.53 9.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 56.23 15.13 9.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -56.99 98.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 26' ' ' HIS . 4.7 p -125.64 168.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -132.86 164.51 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 4.5 p -159.91 102.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' C ' ' CG2' ' A' ' 19' ' ' THR . 2.4 ttt-85 -64.79 148.1 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.525 ' CG2' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -155.49 -177.65 0.77 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.97 -35.32 3.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -84.15 -20.18 32.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . 144.94 164.69 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -81.23 117.05 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 132.08 34.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 78' ' ' PHE . 11.2 mt -106.68 128.84 54.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.445 ' O ' ' O ' ' A' ' 13' ' ' GLY . 6.4 m170 -113.96 129.39 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.713 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -136.12 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -121.08 149.64 51.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.14 33.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.98 114.27 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.49 -18.76 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 32' ' ' LEU . 6.5 mp -107.16 96.16 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -120.36 145.37 40.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.526 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.98 -16.16 20.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt 177.22 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 150.93 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.61 HD21 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -89.0 129.78 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.4 t0 -87.55 -29.64 21.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.84 170.35 17.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE1' HD21 ' A' ' 37' ' ' LEU . 76.8 m-85 -111.67 177.49 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' A' ' 83' ' ' PHE . 64.9 t -133.31 105.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD22 ' CD1' ' A' ' 25' ' ' LEU . 4.2 tp -84.32 120.61 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 1.2 mt-10 -125.85 124.83 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.61 177.32 17.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 178.15 147.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -112.39 157.56 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.29 -125.58 13.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 42.78 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.13 143.63 16.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.433 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 85.6 m95 -57.32 111.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.7 pt-20 -103.93 114.77 29.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.25 117.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.4 mt -86.15 -35.29 20.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.5 106.35 1.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.429 1.752 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.66 106.52 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' ALA . 61.0 t -126.04 128.88 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -37.31 128.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.29 -8.99 63.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.5 p -108.08 -13.63 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 157.45 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.417 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 1.4 p -133.81 10.79 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -175.19 168.07 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 42' ' ' LEU . 16.3 tp -161.55 154.15 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 tp -99.16 132.09 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.0 t -129.59 81.91 68.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -8.26 19.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.466 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.26 50.24 2.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 76' ' ' TYR . 2.4 mt -113.01 161.97 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.439 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 2.2 mm -118.97 160.42 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 99' ' ' THR . 0.0 OUTLIER -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.27 7.87 5.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 14.3 m -125.96 173.3 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.83 94.27 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.81 126.72 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.45 -177.97 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' A' ' 25' ' ' LEU . 65.7 m-85 -160.41 143.93 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.4 ptt180 -152.46 125.05 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.713 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.4 tp -101.59 136.81 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 89' ' ' SER . 43.1 t -129.42 105.3 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.96 135.31 41.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 19.9 p90 -139.5 141.83 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.21 104.06 8.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.25 90.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 t 91.04 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 5.3 m-30 -57.44 138.05 55.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -133.6 130.38 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.464 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 59.9 p -93.77 166.38 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -70.73 155.51 93.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 103.32 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' ASN . 65.7 p -40.52 162.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.03 151.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 m -84.49 149.87 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -139.13 141.25 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.8 p30 -145.86 155.81 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -121.99 142.85 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.2 t -101.28 163.07 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 72' ' ' LYS . 11.0 t -150.12 21.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 t -64.31 -33.8 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.26 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 103' ' ' SER . 0.2 OUTLIER -103.89 147.08 27.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.749 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER 73.26 36.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.945 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.54 -151.62 5.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.57 9.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t 176.79 -51.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.8 m -42.83 150.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.8 p -178.36 146.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.794 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.37 -13.97 20.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.38 175.82 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.63 169.15 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.28 121.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.81 40.35 1.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 27.3 tp -116.71 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -79.56 150.31 72.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 164.84 32.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.98 13.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.5 mtt180 -150.42 -168.2 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.75 34.54 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -77.93 127.74 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' HIS . 2.4 m -152.0 168.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HB3' ' CG1' ' A' ' 97' ' ' VAL . . . -128.78 168.72 15.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' NE2' ' A' ' 26' ' ' HIS . 9.0 p -162.39 108.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -68.95 129.15 39.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -132.44 -174.93 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 -37.14 2.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -85.12 -7.23 59.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 142.67 -161.77 27.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.2 m -113.85 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -82.55 148.97 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 mt -124.74 110.98 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.1 m170 -98.0 129.5 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.716 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 19.0 p90 -136.54 178.61 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -119.54 146.4 41.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.42 31.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.783 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.83 -33.55 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -91.65 113.96 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.51 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.8 t -135.37 143.22 44.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.51 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -11.46 21.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.801 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 6.9 mtmt 168.38 -85.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.61 156.34 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.593 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -91.31 133.77 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -92.17 -23.93 19.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 141.15 166.13 10.61 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.593 ' CE1' HD22 ' A' ' 37' ' ' LEU . 90.6 m-85 -108.2 176.86 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 83' ' ' PHE . 74.6 t -131.81 104.89 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -85.59 114.63 22.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.82 121.51 37.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -122.44 177.66 16.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 22.1 ptt180 -178.61 148.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 10.5 pt20 -116.33 161.72 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.17 25.84 1.2 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.3 38.77 12.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.026 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -173.33 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.39 127.53 32.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 87.9 m95 -51.64 113.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -101.99 118.55 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.36 105.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 42' ' ' LEU . 47.2 mt -78.19 -52.42 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -142.64 105.02 5.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.99 107.69 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 59' ' ' ALA . 10.3 t -125.97 130.38 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -34.34 122.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.12 56.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.9 p -109.71 -8.98 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.2 158.67 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.446 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -135.51 7.49 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.628 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 55.7 mp0 -152.26 168.63 24.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -167.07 144.76 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tp -113.57 135.94 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' A' ' 70' ' ' LEU . 72.4 t -129.44 91.0 42.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.57 21.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.452 ' C ' ' CD2' ' A' ' 70' ' ' LEU . . . -75.57 53.05 2.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -110.31 158.08 18.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.2 mm -102.6 170.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -61.79 -126.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.5 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 10.9 t0 -56.22 85.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.531 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 10.6 m -156.87 169.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -125.95 92.56 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' CB ' HD11 ' A' ' 70' ' ' LEU . 3.1 m-85 -83.04 128.71 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 6.4 mt-10 -91.3 178.31 6.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 66.7 m-85 -161.62 138.78 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.98 126.29 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.2 tp -102.79 135.97 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 89' ' ' SER . 37.4 t -129.93 103.45 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.1 127.86 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.0 p90 -132.28 142.9 49.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -127.64 108.87 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.36 -98.31 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.24 5.62 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.22 132.24 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.444 HG11 ' CG1' ' A' ' 81' ' ' VAL . 11.4 t -122.05 124.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.48 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 32.6 p -86.77 166.96 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.47 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -71.48 152.75 93.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.03 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 93' ' ' ASN . 76.2 p -39.39 162.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 92' ' ' SER . 1.5 p-10 -35.35 151.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -84.47 133.44 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -118.78 146.64 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.502 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -150.66 162.72 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.51 137.23 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.94 142.66 30.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.0 p -119.91 21.49 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.364 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -82.14 -30.71 30.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.37 -39.6 87.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' C ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -87.16 163.04 17.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.5 m 60.67 64.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.5 -176.08 44.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.99 4.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.46 85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -152.78 104.02 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -40.83 124.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 -23.24 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.0 44.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -103.25 158.92 15.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.55 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 41.4 t -121.14 -48.68 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.9 54.94 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 30.4 tp -122.02 120.16 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -86.44 145.54 40.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.06 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 171.29 18.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -142.78 176.38 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.11 43.07 24.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 2.5 tm? -82.66 129.33 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 3.7 m -150.07 167.96 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -137.32 125.72 23.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG12 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -113.97 121.5 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -74.85 119.06 18.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -115.59 171.92 4.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.73 20.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 -26.75 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.4 -142.29 6.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' HD12 ' A' ' 70' ' ' LEU . 45.2 t -130.87 112.36 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 3.1 tp -87.69 127.82 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 7.5 mt -103.77 132.48 49.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CE1' HG12 ' A' ' 17' ' ' VAL . 2.8 m170 -115.98 117.36 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CD2' HD11 ' A' ' 80' ' ' LEU . 23.2 p90 -130.89 177.62 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -120.92 149.45 50.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.4 26.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.01 113.28 3.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -37.73 87.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -84.25 98.68 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 30' ' ' PRO . 2.0 t -127.27 142.3 43.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 -12.49 21.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -126.33 174.75 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -98.75 105.7 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -33.14 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 58' ' ' VAL . . . 148.63 163.7 11.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 80' ' ' LEU . 7.0 m-85 -109.15 179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -132.02 104.14 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 25' ' ' LEU . 1.5 tm? -84.31 115.36 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -110.4 171.01 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.84 170.48 42.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 178.57 147.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 3.8 pm0 -113.98 149.33 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.41 -130.54 51.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 m -114.38 37.26 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.67 -172.43 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.62 152.4 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.489 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 93.1 m95 -65.28 138.66 58.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 7.2 pt-20 -128.64 109.99 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.34 100.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 21.6 mt -68.94 -40.01 79.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.16 106.8 2.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.13 107.83 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 58.3 t -125.77 131.16 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -39.17 127.75 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -9.07 61.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -112.05 -8.49 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.442 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.47 149.06 50.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -123.23 8.67 9.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -169.42 173.67 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 10.7 tp -165.1 154.07 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 1.8 tp -101.93 140.26 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 42' ' ' LEU . 35.7 t -142.7 81.87 12.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -10.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -69.77 53.06 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.621 HD21 ' CD2' ' A' ' 76' ' ' TYR . 5.9 mt -117.14 160.25 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.436 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.4 mm -115.45 163.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 159.98 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.69 6.69 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.436 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 32.3 m -129.02 174.9 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.77 96.51 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.621 ' CD2' HD21 ' A' ' 70' ' ' LEU . 1.8 m-85 -81.04 127.28 32.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.94 179.47 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' ALA . 56.6 m-85 -155.8 159.11 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.497 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 4.5 ptt180 -164.87 129.06 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.601 HD11 ' CD2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -102.64 133.44 47.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 41.1 t -127.53 98.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -73.83 144.06 45.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.527 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 18.8 p90 -148.37 143.9 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.69 107.59 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.15 4.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -1.71 57.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 6' ' ' SER . 8.4 m-30 -99.11 149.44 23.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 83' ' ' PHE . 3.4 m -139.64 161.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 82' ' ' ALA . 27.1 p -120.45 165.08 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 34.4 m-20 -68.94 158.41 86.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.481 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' ASN . 26.2 p -40.25 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -35.94 152.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 3.1 m -88.3 138.35 31.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -129.56 150.55 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.465 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.7 p30 -149.56 163.05 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.418 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -129.04 133.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.17 162.03 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.09 55.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.6 t -108.63 -28.36 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.1 17.12 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -56.37 151.36 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 0.801 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.406 ' HB2' ' CD2' ' A' ' 102' ' ' LEU . 0.6 OUTLIER 67.26 -73.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 102' ' ' LEU . . . -58.25 134.7 52.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.03 2.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 82.13 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t 58.7 113.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -179.34 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -98.67 32.15 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.28 -172.42 13.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -80.17 126.64 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -177.78 147.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.74 77.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 57.5 tp -107.71 118.57 37.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.78 148.43 51.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.4 mtt180 -152.34 174.34 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 61.11 11.1 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -54.16 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -125.48 168.47 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -131.17 163.73 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 23' ' ' VAL . 3.5 p -156.83 104.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' C ' ' CG2' ' A' ' 19' ' ' THR . 0.0 OUTLIER -65.87 145.33 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.522 ' CG2' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -155.34 -177.1 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -37.77 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -18.7 48.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 19' ' ' THR . . . 142.41 166.3 10.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -81.24 114.79 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -86.43 137.77 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 10.9 mt -111.43 134.97 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 13' ' ' GLY . 3.3 m170 -120.2 128.6 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.577 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.707 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.9 p90 -136.21 177.89 7.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -124.53 153.73 69.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 152.29 40.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' CG ' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.99 123.22 7.73 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.54 -19.22 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.9 mt -113.11 81.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.79 150.65 44.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.555 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -75.03 -33.94 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 13.8 mtmt -161.02 -104.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -113.41 147.93 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -82.67 121.03 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -20.2 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.637 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 143.21 159.48 7.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CE1' HD22 ' A' ' 37' ' ' LEU . 84.9 m-85 -102.04 176.8 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 83' ' ' PHE . 62.5 t -131.23 104.04 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 54' ' ' LEU . 2.7 tm? -85.45 118.94 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 1.6 mp0 -112.26 173.07 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.71 167.5 40.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 20.4 ptt180 -176.53 150.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.717 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 42.1 mt-30 -81.84 179.1 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.87 108.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 p 42.38 50.67 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -107.65 -172.21 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.31 144.81 22.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -73.16 112.04 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 9.2 pt-20 -107.2 114.88 29.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.4 t -57.4 107.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 31.5 mt -77.13 -42.84 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.86 106.95 2.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.33 104.26 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.3 t -126.5 121.86 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -32.56 128.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.42 52.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.7 p -110.88 -17.5 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.1 160.03 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.422 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 18.4 p -136.72 9.79 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.591 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.45 169.99 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 tp -165.37 149.72 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -96.83 142.57 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 54' ' ' LEU . 60.0 t -143.19 77.06 16.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.71 20.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -72.95 53.64 1.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 76' ' ' TYR . 6.4 mt -116.79 158.96 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.3 mm -106.25 171.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.16 149.51 25.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.5 t0 72.8 8.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 4.0 m -121.6 170.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.47 94.93 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.717 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 2.1 m-85 -81.47 133.58 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.0 mt-10 -97.88 -177.66 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 95' ' ' ALA . 80.5 m-85 -161.53 158.89 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.0 ptt180 -165.83 129.94 2.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.707 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 7.0 tp -102.54 145.53 29.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 89' ' ' SER . 49.6 t -138.58 105.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.31 136.12 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.637 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 20.2 p90 -145.02 133.07 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -119.51 106.85 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.21 8.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.5 19.1 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.05 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 2.9 m-85 -113.3 140.77 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.63 138.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.464 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 43.7 p -103.09 166.12 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.36 155.85 92.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.0 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' ASN . 60.2 p -44.05 167.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.421 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.55 147.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -81.19 134.93 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.53 144.52 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.538 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.0 p30 -150.94 167.03 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -126.5 166.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.76 121.07 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.9 p -103.22 44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 p -93.9 -26.34 16.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -115.78 37.67 3.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.445 HD11 ' CZ ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -88.8 151.96 22.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.68 -70.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.17 162.96 36.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.51 23.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.762 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 125.08 6.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.22 121.32 44.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -121.94 163.64 18.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -121.71 36.92 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.48 54.1 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -174.74 169.12 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -134.49 -56.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.1 61.9 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 53.6 tp -119.14 121.94 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 32' ' ' LEU . 56.5 p -86.46 141.25 34.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.99 176.54 9.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -154.31 -175.68 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.36 44.51 5.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 59.9 tp -88.71 125.16 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -146.94 169.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB3' ' CG1' ' A' ' 97' ' ' VAL . . . -129.56 147.69 51.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.556 ' CG1' ' O ' ' A' ' 17' ' ' VAL . 1.5 p -142.47 104.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' CZ ' HD11 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.56 119.76 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.3 p -121.68 -175.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.93 -27.16 10.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -92.38 -17.91 24.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 19' ' ' THR . . . 150.88 -173.93 30.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.5 m -97.18 114.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -84.24 128.47 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 10.5 mt -107.04 113.97 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 2.2 m170 -100.32 120.84 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.67 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 20.6 p90 -128.66 171.92 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ARG . 2.7 m-20 -116.83 151.4 47.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 154.65 42.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 114.06 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 2.6 tt0 -65.04 -30.11 71.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.2 mt -111.79 108.52 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.513 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -135.89 148.68 66.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -32.73 5.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 33.1 mttt -150.07 -111.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -117.92 155.63 29.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.61 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -79.23 107.05 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -35.01 75.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.98 155.37 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 64.0 m-85 -100.93 177.53 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.7 t -132.0 106.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 65' ' ' LEU . 2.4 tp -83.91 116.61 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -123.61 119.63 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.94 -178.23 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 12.5 ptt180 179.38 146.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 12.4 pt20 -123.49 131.98 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 16.99 63.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.416 1.073 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.9 m 61.67 41.77 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.32 -162.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.95 132.15 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 94.9 m95 -61.43 121.52 12.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.4 pt-20 -110.08 109.43 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.6 t -49.8 104.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 52' ' ' GLU . 36.3 mt -71.45 -47.61 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -145.5 106.51 4.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.86 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.41 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' ALA . 94.5 t -125.66 129.09 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.13 124.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.31 -9.22 54.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -105.16 -13.49 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 146.23 54.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.83 9.23 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.644 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -172.45 173.45 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD2' HD22 ' A' ' 42' ' ' LEU . 12.7 tp -166.32 154.87 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 1.7 tp -100.62 139.5 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 42' ' ' LEU . 69.4 t -130.68 84.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.0 2.54 6.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.455 ' C ' HD21 ' A' ' 70' ' ' LEU . . . -79.06 27.04 2.37 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.556 HD23 ' CG ' ' A' ' 76' ' ' TYR . 3.0 mt -107.39 160.04 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.46 -155.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.497 ' HA ' ' CG2' ' A' ' 99' ' ' THR . 0.0 OUTLIER -122.52 157.4 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.3 21.37 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 18.6 m -136.81 156.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.545 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -117.61 92.93 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.556 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.1 m-85 -82.95 126.05 32.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 10.3 mt-10 -90.64 -177.89 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 80.3 m-85 -162.75 149.02 12.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 7.2 ptt180 -155.07 122.69 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.4 tp -102.08 140.22 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.32 109.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.18 136.94 42.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 10.1 p90 -142.22 134.08 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -116.83 108.13 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.44 -109.53 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.36 -13.96 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' ALA . 64.8 m-85 -86.15 132.6 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.08 142.1 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 5.3 p -109.41 158.53 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.6 m-20 -69.3 156.0 92.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.0 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 93' ' ' ASN . 46.5 p -45.98 176.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' SER . 9.6 p-10 -43.89 170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m -101.11 131.81 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -120.85 146.3 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.545 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.11 159.27 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -116.78 147.19 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 t -110.77 151.42 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 72' ' ' LYS . 9.1 t -149.26 30.7 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -71.16 -30.78 66.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.78 51.46 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -108.2 175.01 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 t -64.02 123.02 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.83 155.01 7.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.42 33.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -158.44 107.11 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.1 m -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -143.19 -60.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 29.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.43 124.69 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 64.44 94.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t -161.84 103.74 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.69 26.64 5.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 61.2 tp -114.23 119.59 37.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.88 148.64 51.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.963 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.07 166.89 28.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.39 29.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -141.12 -179.23 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 50.16 35.05 25.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 2.2 tm? -80.42 115.15 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.59 168.01 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' HB3' ' CG1' ' A' ' 97' ' ' VAL . . . -132.92 122.31 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.585 HG12 ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -112.67 117.54 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH1' ' CB ' ' A' ' 102' ' ' LEU . 5.6 tmm_? -69.84 127.59 33.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -130.91 167.49 21.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.7 -13.32 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.2 -135.53 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 78' ' ' PHE . 2.9 t -131.69 122.96 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 5.0 tp -97.1 102.94 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -81.21 110.61 16.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.5 m170 -98.38 125.13 43.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.777 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.4 p90 -136.03 178.72 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -125.02 152.84 71.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.25 40.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.512 ' CG ' HD13 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.99 116.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.39 -10.06 59.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 mt -124.99 93.46 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.547 HG21 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.51 151.05 62.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.547 ' HD2' HG21 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 33' ' ' VAL . 17.4 mtmt -158.29 -104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.3 149.06 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.614 ' CD2' ' CZ ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.52 129.7 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.29 -20.2 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 132.7 159.2 9.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.614 ' CZ ' ' CD2' ' A' ' 37' ' ' LEU . 12.1 m-85 -102.4 178.9 4.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.578 HG13 ' CG2' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.07 106.93 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 25' ' ' LEU . 19.9 tp -74.54 119.91 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -124.27 113.24 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 177.62 16.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 179.87 148.66 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 3.2 pt20 -114.15 137.79 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.78 37.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.3 m -110.34 44.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -174.68 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.02 140.76 16.57 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -57.17 110.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.8 pt-20 -103.02 114.1 28.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.441 ' CG1' HG23 ' A' ' 41' ' ' VAL . 61.4 t -61.45 109.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 67' ' ' VAL . 29.3 mt -69.17 -40.51 78.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 105.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.7 t -126.29 133.09 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.29 123.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -67.34 -9.16 54.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.5 p -108.82 -12.79 14.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 159.61 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -130.52 3.69 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.643 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -170.67 173.1 5.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.0 tp -166.53 154.14 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 6.7 tp -93.73 142.99 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 25' ' ' LEU . 47.8 t -134.98 82.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.52 21.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.463 ' C ' HD21 ' A' ' 70' ' ' LEU . . . -77.04 53.1 3.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.565 HD23 ' CG ' ' A' ' 76' ' ' TYR . 1.5 mt -113.28 159.69 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.46 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.2 mm -112.37 160.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.16 145.27 26.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 72.46 27.8 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 14.5 m -141.05 173.82 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -127.04 94.78 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.5 m-85 -80.88 130.38 35.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.54 -177.8 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 23' ' ' VAL . 59.6 m-85 -163.54 140.33 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -154.11 127.09 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.777 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.5 tp -102.04 139.96 36.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.578 ' CG2' HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -124.92 103.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.82 110.08 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 11.5 p90 -121.23 139.95 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -126.55 105.15 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.9 90.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.3 t 89.21 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 88.7 m-85 -57.85 124.54 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -123.5 112.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.544 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 51.5 p -76.45 168.51 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -72.14 153.02 92.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.08 103.86 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 93' ' ' ASN . 37.5 p -36.76 156.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.2 p-10 -35.67 151.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -81.61 144.38 31.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -135.55 147.62 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -149.61 165.78 31.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -134.18 137.66 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t -83.87 152.23 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.03 66.29 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.366 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.3 -0.57 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.31 -36.68 1.08 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -55.52 157.15 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.8 t 68.62 -71.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.95 116.02 0.69 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.85 42.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.565 1.824 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -171.87 138.15 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.75 103.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -155.73 156.55 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.756 . . . . 0.0 109.968 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -96.87 22.79 7.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 158.81 42.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -88.35 138.1 31.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -144.91 109.47 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.87 33.68 3.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 32.7 tp -107.08 125.13 50.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -90.72 145.07 31.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.98 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.01 176.99 9.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -149.66 171.8 16.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.31 56.55 9.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -94.64 118.92 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -130.98 167.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.56 114.05 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.3 p -111.08 107.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' CG ' HG23 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -65.64 139.48 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.713 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 60.7 p -137.39 173.81 5.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.713 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -134.25 10.15 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 133.63 -148.19 19.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.542 ' CG1' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -132.91 124.21 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.47 104.63 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 1.1 mt -88.89 134.8 33.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -121.64 117.67 27.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.784 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -124.97 176.6 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.14 150.67 57.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.12 35.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.539 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.97 121.17 6.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.73 87.82 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.511 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -121.5 149.35 52.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -33.65 4.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.7 mtmt -150.9 -108.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 156.03 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.08 110.02 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -38.71 84.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.78 150.84 5.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 55.8 m-85 -96.7 177.11 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.543 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 1.2 p -134.65 111.72 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.21 110.47 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.5 mt-10 -116.44 115.18 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.75 177.61 16.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 6.9 ptt180 177.09 149.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.7 pt20 -112.09 151.23 29.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.49 -129.1 36.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -116.33 44.41 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -176.55 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.46 142.14 22.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 67.0 m95 -59.1 111.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.3 pt-20 -100.05 110.06 22.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.51 105.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 21.7 mt -64.56 -44.39 90.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -165.42 104.69 0.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.5 Cg_endo -74.97 -16.63 20.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.98 100.69 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.0 t -126.26 136.87 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -39.9 128.16 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.09 -9.71 72.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.0 p -107.88 -8.98 15.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.15 157.89 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.42 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 20.4 p -133.08 6.82 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.634 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 pm0 -167.84 164.57 14.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.7 tp -155.63 152.64 28.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 tp -113.47 128.39 56.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.544 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 71.3 t -119.78 105.18 43.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.2 Cg_endo -75.03 -11.69 21.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -54.8 -109.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.542 HD12 ' CG1' ' A' ' 23' ' ' VAL . 11.1 mt 46.56 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.612 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.4 mt -149.35 -150.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 149.05 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 7.1 m-20 62.34 41.18 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 19.4 m -156.33 155.48 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -114.28 96.17 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.4 m-85 -81.76 125.47 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.8 mt-10 -90.12 -179.15 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 77.9 m-85 -162.68 146.98 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -151.26 128.94 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.784 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.82 133.5 47.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.555 ' CG1' ' O ' ' A' ' 89' ' ' SER . 0.8 OUTLIER -125.68 105.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -76.61 110.55 11.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.9 p90 -120.39 129.01 53.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -113.27 108.0 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.89 -112.9 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.158 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -26.34 53.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.808 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' ALA . 84.0 m-85 -78.22 134.28 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.62 124.22 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.555 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 7.0 p -91.26 167.92 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.7 m-20 -78.2 157.13 78.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.01 110.26 3.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 35.7 p -44.33 170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 92' ' ' SER . 9.9 p-10 -39.03 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -94.48 134.74 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.48 155.85 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -149.9 143.56 25.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.546 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.5 m -128.59 158.1 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.7 t -107.21 156.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -149.41 54.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 t -112.94 -31.38 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.36 45.99 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.3 171.31 9.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.4 t 54.84 85.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.99 -113.21 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.99 5.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 t -173.87 136.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.4 m -111.72 140.84 46.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -168.78 120.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -123.1 20.16 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -38.03 -84.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.85 74.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -118.0 154.2 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.86 18.54 1.79 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 45.5 tp -112.27 121.41 44.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 m -88.93 145.35 34.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.99 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 179.35 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -149.43 168.7 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.28 71.71 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 63.6 tp -107.99 114.13 27.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.5 m -127.24 162.84 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . . . -131.04 109.37 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.581 HG12 ' CE1' ' A' ' 26' ' ' HIS . 2.6 p -98.05 100.95 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.53 127.57 32.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 1.5 p -128.39 -177.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -10.48 21.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -112.23 -10.51 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 143.76 -171.69 25.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.523 ' CG1' HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -105.5 114.43 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.5 OUTLIER -83.52 110.96 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -79.95 132.15 35.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.581 ' CE1' HG12 ' A' ' 17' ' ' VAL . 5.6 m170 -118.55 108.37 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 34.9 p90 -119.34 171.58 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.017 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.76 151.86 49.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.67 34.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' CG ' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.01 122.18 7.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.04 -12.71 60.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.9 mt -117.84 83.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.548 HG22 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -117.68 151.76 48.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HD2' HG22 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.97 -34.57 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.5 mttt -162.58 -101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -111.75 146.91 36.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -79.08 124.01 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.41 -24.24 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.59 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.5 154.88 6.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' HD21 ' A' ' 37' ' ' LEU . 43.7 m-85 -96.95 178.26 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.557 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 1.4 p -139.49 105.94 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 HD23 ' CG2' ' A' ' 67' ' ' VAL . 16.5 tp -78.73 125.09 28.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.3 mt-10 -127.86 116.91 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.84 -179.19 16.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 11.5 ptt180 174.47 152.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.731 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.773 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 6.3 mp0 -88.97 149.3 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 33.0 -98.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.16 38.78 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.87 -174.37 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.99 138.13 21.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.538 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 70.8 m95 -63.48 101.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 3.7 pt-20 -91.62 117.55 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.28 105.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 8.7 mt -68.74 -52.49 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.86 101.75 1.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -75.0 -19.91 17.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.82 96.0 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' A' ' 59' ' ' ALA . 92.7 t -126.56 120.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -27.21 137.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' A' ' 37' ' ' LEU . . . -81.0 11.1 44.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.8 p -127.03 0.54 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 8.7 mm-40 -76.81 153.05 35.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.15 1.33 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.619 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -167.45 166.94 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.9 tp -161.67 153.12 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.7 tp -99.38 139.35 35.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 25' ' ' LEU . 87.2 t -138.08 86.11 18.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.0 -21.33 15.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' PRO . . . -35.91 -43.31 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.611 HD23 ' CD2' ' A' ' 76' ' ' TYR . 2.5 mt -39.71 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.13 -153.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 1.1 mtmt -128.2 136.94 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 1.4 t70 83.28 19.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.6 157.53 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -113.3 95.14 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.773 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 2.0 m-85 -84.02 136.49 34.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.0 mt-10 -95.15 179.0 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CD1' HD21 ' A' ' 25' ' ' LEU . 66.4 m-85 -160.32 149.14 17.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 6.0 ptt180 -159.97 128.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -103.15 143.15 32.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.557 ' HB ' ' CG1' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -130.61 105.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -77.21 109.83 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 12.7 p90 -120.01 138.22 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -125.86 106.47 9.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 24.5 94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 86.96 -61.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' ALA . 96.8 m-85 -58.15 119.49 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.68 112.03 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.539 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 26.9 p -75.95 166.82 22.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.11 155.68 90.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.473 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -74.99 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' PRO . 22.0 p -39.56 164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' SER . 7.6 p-10 -37.1 155.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -83.86 136.27 34.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 78' ' ' PHE . . . -108.48 125.64 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.471 ' CB ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -112.43 147.94 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -121.32 147.33 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.431 ' N ' HG12 ' A' ' 97' ' ' VAL . 5.0 t -112.47 158.72 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.22 69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.419 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -111.86 -32.07 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.38 55.32 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -92.88 147.72 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 102' ' ' LEU . 4.9 t 78.87 -69.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.31 117.7 2.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.03 113.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.0 p -173.49 126.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 117.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 p -116.03 33.93 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.24 63.11 3.74 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.567 1.167 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -114.28 -63.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -44.44 128.98 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.66 45.36 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 33' ' ' VAL . 58.1 tp -105.32 117.64 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -84.5 140.25 38.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 174.41 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.82 17.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -145.79 171.0 15.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 45.5 65.23 2.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 11.0 tp -104.57 115.93 31.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.8 m -131.61 149.57 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' HG11 ' A' ' 97' ' ' VAL . . . -111.48 117.97 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' NE2' ' A' ' 26' ' ' HIS . 4.1 p -106.96 108.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -66.69 123.48 20.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.4 p -125.77 169.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -113.34 -13.12 12.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.28 -147.01 16.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.543 ' CG2' HD11 ' A' ' 70' ' ' LEU . 5.8 t -125.12 118.46 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -96.56 123.64 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.773 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.31 109.17 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.3 m170 -92.28 109.03 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.5 p90 -118.01 177.4 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 108.047 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.93 147.96 45.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.15 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.62 -48.76 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -77.09 113.75 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -139.05 142.42 33.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.01 -14.39 21.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.8 -88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -135.14 173.46 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.79 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -34.33 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.576 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 157.26 156.08 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.606 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 72.5 m-85 -103.32 176.86 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 0.715 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.85 104.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 2.5 tm? -90.02 116.46 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -111.22 170.44 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.77 176.43 42.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 3.2 ptt180 178.23 147.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.629 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 10.9 pt20 -115.84 129.76 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 -132.8 14.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -114.47 44.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -173.1 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.38 144.71 20.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -60.59 124.41 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' CG ' HD22 ' A' ' 54' ' ' LEU . 9.0 pt-20 -109.64 127.3 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.3 102.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 42' ' ' LEU . 28.8 mt -71.47 -48.37 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.89 102.99 4.17 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.95 -44.99 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 59' ' ' ALA . 34.8 t -127.22 122.68 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -33.34 139.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.64 17.3 35.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -129.34 3.61 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 8.1 mm-40 -88.4 162.99 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -132.36 4.01 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.773 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.42 164.81 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.495 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -151.42 138.45 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 65' ' ' LEU . 3.6 tp -92.85 129.31 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 HG21 ' CD2' ' A' ' 25' ' ' LEU . 79.3 t -131.36 83.28 59.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.09 21.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -72.62 54.13 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD21 ' CG ' ' A' ' 76' ' ' TYR . 2.4 mt -114.71 159.2 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.1 mm -113.97 162.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HA ' ' CG2' ' A' ' 99' ' ' THR . 0.0 OUTLIER -98.63 158.73 15.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 67.17 9.65 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.419 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 16.5 m -127.38 173.94 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.26 94.16 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' A' ' 46' ' ' GLN . 1.2 m-85 -81.84 125.94 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.53 -178.97 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CD2' HD13 ' A' ' 25' ' ' LEU . 54.5 m-85 -157.88 157.13 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -167.54 127.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.7 tp -100.62 149.95 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 38.5 t -140.28 104.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -75.57 136.52 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.8 p90 -143.98 134.69 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -122.34 107.17 11.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.56 -116.39 9.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.55 17.0 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.6 m-85 -112.39 130.53 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.16 125.48 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 10.0 p -88.49 161.04 17.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.5 m-20 -68.54 155.55 92.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 93' ' ' ASN . 28.6 p -43.48 172.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -43.12 171.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.474 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -106.43 129.77 54.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -125.74 151.04 47.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 17.1 p30 -150.96 168.41 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.484 HG11 ' CB ' ' A' ' 16' ' ' ALA . 1.1 m -123.39 165.78 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -122.22 157.26 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 72' ' ' LYS . 9.4 t -148.29 22.18 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 p -62.14 -27.37 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.84 -27.6 73.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 162.92 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.786 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.34 79.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.22 156.69 15.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 63.08 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 t 43.92 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.11 170.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -150.4 108.28 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.79 32.44 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.93 172.56 16.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -100.45 121.85 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -150.52 106.5 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 110.01 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.85 14.09 9.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp -88.75 120.83 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 67.2 p -82.05 141.54 47.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ASP . 2.0 mtt180 -158.98 171.7 19.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 59.52 13.95 25.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 17.5 tp -58.49 101.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 26' ' ' HIS . 7.3 p -123.1 150.11 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . . . -110.61 147.43 34.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.539 ' CG1' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -141.72 103.04 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 130.08 42.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.46 175.95 3.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.28 9.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -115.77 -16.77 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.73 -153.16 25.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' CE2' ' A' ' 78' ' ' PHE . 4.2 t -113.45 123.24 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.602 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 4.8 tp -97.84 102.43 14.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -80.68 109.43 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 2.7 m170 -96.07 109.22 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -116.89 177.78 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 108.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -122.58 150.81 58.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.73 28.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 111.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.47 -20.71 66.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' SER . 5.1 mp -105.56 92.15 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 30' ' ' PRO . 1.6 t -120.57 143.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -15.32 20.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -171.56 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -131.02 170.13 14.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -95.12 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -36.04 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.543 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 157.38 155.83 7.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 84.9 m-85 -102.73 177.03 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.74 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -135.83 106.54 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD12 ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -89.62 110.77 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' N ' HD23 ' A' ' 42' ' ' LEU . 4.5 mt-10 -112.88 128.96 56.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.64 -179.63 16.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.152 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -179.23 146.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.598 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 11.6 pt20 -125.9 136.65 53.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.5 36.65 68.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.86 18.33 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.59 136.21 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.532 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 95.2 m95 -57.06 105.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 3.7 pt-20 -101.01 102.2 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG22 ' CG ' ' A' ' 43' ' ' GLU . 86.7 t -41.31 102.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.497 ' CD1' HD12 ' A' ' 42' ' ' LEU . 72.7 mt -67.86 -35.62 78.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -157.47 106.64 1.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.07 108.77 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 55' ' ' ASP . 94.5 t -125.83 127.92 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -39.05 128.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.44 -4.78 58.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.6 p -111.71 -3.42 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.53 140.57 38.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -113.13 2.23 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.615 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -166.37 163.4 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.0 tp -155.42 151.74 28.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 24.9 tp -91.01 148.02 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 2.8 t -142.0 82.51 13.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.78 20.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' LEU . . . -49.27 -55.2 13.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -39.11 158.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.62 -172.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HA ' ' CG2' ' A' ' 99' ' ' THR . 0.0 OUTLIER -102.37 172.45 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.06 14.12 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.56 165.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -124.99 93.1 3.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.598 ' CE2' ' CD ' ' A' ' 46' ' ' GLN . 1.3 m-85 -83.57 146.09 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 13.0 mt-10 -104.22 -176.84 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 77' ' ' GLU . 59.6 m-85 -160.11 156.24 26.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.532 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 6.0 ptt180 -166.81 124.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.791 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.1 tp -102.04 136.84 41.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 89' ' ' SER . 33.4 t -128.55 102.29 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -73.8 129.01 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.2 p90 -136.21 135.77 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -118.71 104.78 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.26 89.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.4 t 90.07 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 85.5 m-85 -57.88 124.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.72 131.0 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 24.6 p -96.51 161.06 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 18.7 m-20 -68.48 156.93 89.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.477 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.5 Cg_endo -74.95 101.89 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' PRO . 63.3 p -39.05 163.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.044 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -33.84 145.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.77 131.06 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -115.63 144.79 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 7.4 p30 -150.91 151.94 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 m -111.64 167.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.6 t -131.7 155.54 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 72' ' ' LYS . 11.0 t -158.88 44.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -90.78 -32.4 16.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.47 56.38 0.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -105.34 152.3 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 p 50.0 50.16 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -121.43 -152.5 8.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.428 1.08 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.26 103.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.2 t -55.71 -56.94 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.93 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 0.785 . . . . 0.0 109.97 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.49 34.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.29 -148.13 18.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.23 -50.13 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 60.29 121.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.51 41.68 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 39.7 tp -96.04 125.81 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 60.5 p -88.69 138.16 29.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.98 175.87 10.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 8.6 mtt180 -149.64 166.94 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.68 51.47 54.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.52 105.23 17.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -120.14 169.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' CB ' ' CD2' ' A' ' 25' ' ' LEU . . . -141.03 122.09 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.04 110.49 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' NH2' ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -72.5 148.09 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -151.16 -174.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -8.69 20.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.43 17.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 114.02 -148.83 18.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.52 HG23 ' CG2' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -123.85 127.12 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 26' ' ' HIS . 1.8 tp -93.13 111.46 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 78' ' ' PHE . 9.0 mt -94.08 113.49 25.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.2 m170 -98.52 128.92 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 16.6 p90 -136.02 170.08 16.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -115.32 149.97 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 149.85 36.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 118.35 5.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.79 -19.61 51.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.47 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.49 HG22 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.34 151.59 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HD2' HG22 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.3 mmtt -142.19 -111.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -118.36 151.63 37.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 106.4 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -35.23 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.612 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.25 151.33 6.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.588 1.18 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 62' ' ' GLU . 54.6 m-85 -96.89 177.85 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.6 t -136.28 107.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 25' ' ' LEU . 51.2 tp -85.45 118.93 25.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -122.7 128.71 50.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' N ' ' OE1' ' A' ' 43' ' ' GLU . . . -130.91 -179.75 16.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 48' ' ' SER . 13.1 ptt180 178.78 146.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.9 pt20 -118.45 160.7 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 23.5 4.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 47.0 m 62.2 34.84 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -172.2 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.21 138.62 45.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -62.45 137.86 58.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 1.9 mt-10 -123.31 124.72 43.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.59 92.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.8 mt -64.72 -37.57 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.4 t0 -157.92 102.81 1.76 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.35 108.21 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' A' ' 59' ' ' ALA . 53.3 t -127.06 130.6 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' CG ' ' A' ' 62' ' ' GLU . . . -34.26 150.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.27 -0.54 65.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -122.46 31.93 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' OE1' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -106.77 167.24 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -140.04 10.71 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.641 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 pt-20 -178.93 166.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 5.6 tp -159.38 154.31 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 14.5 tp -91.66 147.27 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.52 ' CG2' HG23 ' A' ' 23' ' ' VAL . 3.6 m -140.8 66.48 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.37 19.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -64.71 -17.82 63.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -44.98 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 0.786 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.8 mm -117.29 170.51 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 144.69 28.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 1.8 t0 69.95 36.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 15.0 m -153.95 163.06 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -120.9 96.05 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.3 m-85 -83.57 137.46 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 mt-10 -92.81 -177.85 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CD2' HD21 ' A' ' 25' ' ' LEU . 44.6 m-85 -158.82 144.29 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.6 ptt180 -155.63 122.29 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.39 136.58 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.65 107.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.4 143.62 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.66 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 8.3 p90 -145.26 133.51 21.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -123.03 145.32 48.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.93 -125.85 1.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.59 30.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.0 m-85 -119.77 159.77 23.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.02 126.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 4.0 p -91.64 157.91 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -69.38 154.9 94.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.94 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' ASN . 63.7 p -42.95 167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 12.0 p-10 -37.36 155.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.6 m -91.55 144.68 25.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.31 160.17 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.48 ' CB ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -150.62 156.61 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -142.44 166.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -117.54 155.29 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -141.07 37.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -75.78 -32.92 60.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.18 43.48 1.71 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -92.93 156.82 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.458 ' CB ' HD23 ' A' ' 102' ' ' LEU . 23.0 t 42.28 63.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.23 149.28 16.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.54 119.5 38.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.63 -57.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.23 -64.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -71.52 -22.81 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.25 167.08 24.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -41.17 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.458 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 18.3 m 57.92 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.53 40.94 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 tp -101.48 126.08 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 57.3 p -86.47 140.96 34.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.03 173.45 14.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -148.88 175.35 11.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.6 43.59 53.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -86.07 118.96 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -138.73 169.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -139.98 113.96 8.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -109.7 108.98 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' C ' ' CG2' ' A' ' 19' ' ' THR . 3.8 tmm_? -66.9 145.9 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.558 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -155.57 -174.64 0.44 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -38.8 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.43 -1.44 53.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' HG21 ' A' ' 19' ' ' THR . . . 123.05 173.03 13.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.545 HG12 ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.88 122.22 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -90.75 110.23 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 5.3 mt -87.65 124.94 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.496 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.8 m170 -112.87 125.65 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.683 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -131.97 177.46 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -124.18 150.89 64.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.82 37.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.93 121.54 6.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -100.48 89.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG21 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -122.96 149.39 56.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' HG21 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 8.8 mtpp -151.17 -107.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -116.94 152.22 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -77.72 103.93 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -36.72 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.639 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.36 151.74 5.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.57 ' CE2' HD21 ' A' ' 37' ' ' LEU . 70.2 m-85 -96.47 174.89 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.535 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -136.92 106.92 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 1.1 tm? -81.12 115.56 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -119.31 123.24 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.87 165.29 18.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLU . 35.8 ptt180 -166.09 156.67 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.689 ' NE2' ' HH ' ' A' ' 76' ' ' TYR . 1.4 mp0 -99.42 146.69 26.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 35.99 -101.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -129.72 41.66 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -175.79 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.43 130.4 10.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -49.82 110.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.57 130.14 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.82 95.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -65.84 -51.2 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 1.3 t70 -161.16 103.47 1.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.97 -29.19 8.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.24 102.14 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 64.7 t -126.67 121.7 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . . . -36.86 138.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.73 11.16 54.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -119.33 -1.77 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 8.5 mm-40 -84.16 161.27 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.98 8.43 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.6 pm0 -169.48 167.12 10.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.9 tp -153.59 154.55 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 12.4 tp -99.91 140.9 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.545 ' CG2' HG12 ' A' ' 23' ' ' VAL . 2.7 m -142.44 66.52 19.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -7.01 18.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -65.3 -19.12 66.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.587 HD23 ' CD2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -41.24 161.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 1.8 mm -109.25 170.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -106.17 140.43 39.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 82.18 23.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 35.3 m -142.8 171.31 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -124.72 94.88 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' HH ' ' NE2' ' A' ' 46' ' ' GLN . 3.3 m-85 -81.87 134.88 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.0 mt-10 -95.52 -179.56 4.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.518 ' CD2' HD22 ' A' ' 25' ' ' LEU . 41.7 m-85 -158.87 138.86 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 4.0 ptt180 -147.4 126.51 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.3 tp -102.71 135.81 43.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -124.44 111.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -84.79 110.54 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.639 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 15.8 p90 -120.72 134.15 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -116.37 104.29 11.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.5 91.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.7 OUTLIER 90.41 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.051 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 3.7 m-30 -57.98 127.11 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.96 107.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.545 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 33.0 p -75.07 167.52 21.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -72.07 153.83 92.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.4 p -40.08 163.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.6 p-10 -37.36 155.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -88.09 142.45 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -127.55 149.97 49.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 45.2 p30 -151.0 166.92 29.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -143.06 134.0 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.25 141.88 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -126.0 60.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.6 p -113.25 -32.94 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.82 55.57 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.02 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t 44.14 76.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.4 178.33 52.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 134.61 18.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t 58.39 164.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.2 121.01 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.61 33.74 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.06 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.46 -105.74 1.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -112.54 165.16 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -131.89 159.92 37.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.05 -40.33 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' CD1' HG13 ' A' ' 33' ' ' VAL . 20.2 tp -73.09 113.18 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -69.42 142.39 92.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.5 Cg_endo -74.91 168.8 24.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.07 177.81 8.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.3 mtt180 -157.94 -178.58 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 54.04 18.5 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 36.2 tp -63.88 103.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 26' ' ' HIS . 9.3 p -125.88 166.13 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . -120.86 166.6 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG22 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -154.9 92.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' NH1' ' HB ' ' A' ' 99' ' ' THR . 3.4 ttt85 -66.52 97.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.563 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -100.81 -173.68 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -8.06 59.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 144.67 -172.64 25.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.509 ' CG1' HD11 ' A' ' 70' ' ' LEU . 1.7 m -101.33 114.15 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -81.84 151.35 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' A' ' 78' ' ' PHE . 20.2 mt -125.58 122.12 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' A' ' 17' ' ' VAL . 13.1 m170 -111.34 119.5 39.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.698 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 33.5 p90 -124.19 173.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -116.82 147.23 39.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.83 25.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -49.69 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -76.54 115.73 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -138.86 142.59 34.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -12.53 21.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -177.17 -86.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -133.56 173.59 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.42 115.25 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.603 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 150.92 149.11 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.562 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.8 m-85 -97.97 176.16 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.47 104.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 54' ' ' LEU . 3.1 tm? -87.42 118.66 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt-10 -115.57 170.7 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.24 168.52 39.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 178.89 146.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 7.1 pt20 -116.06 147.18 41.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.0 -121.26 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.29 42.25 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.53 -171.73 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -94.43 140.92 15.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -53.98 118.89 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -107.81 102.2 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.52 105.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 16.2 mt -75.09 -43.75 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -147.01 107.4 3.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.37 111.37 23.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.1 t -125.81 130.9 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.81 132.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.86 -7.84 71.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 p -109.85 -13.11 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.64 143.69 57.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.96 8.32 11.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -169.73 173.11 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 5.1 tp -165.61 152.03 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 2.6 tp -97.65 143.71 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 54' ' ' LEU . 49.5 t -143.12 78.33 15.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.66 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -71.45 50.49 1.05 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 HD11 ' CG1' ' A' ' 23' ' ' VAL . 12.9 mt -126.14 160.7 29.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.69 -169.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -115.42 151.03 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 4.9 t70 82.03 -4.63 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.84 167.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.15 95.31 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 1.5 m-85 -82.23 134.51 35.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 6.3 mt-10 -99.37 -176.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CD2' HD22 ' A' ' 25' ' ' LEU . 75.9 m-85 -162.63 149.35 13.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -154.37 129.89 9.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.698 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.1 tp -103.33 138.78 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 89' ' ' SER . 98.6 t -132.16 101.37 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -74.86 136.68 41.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.2 p90 -143.06 139.52 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.16 121.22 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.34 -94.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 m -118.12 15.58 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.02 132.28 51.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.64 129.56 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.443 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 42.6 p -94.62 164.87 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -70.44 153.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.03 102.2 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 93' ' ' ASN . 69.0 p -39.51 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -35.67 149.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.32 128.85 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.42 140.73 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.563 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.4 p30 -146.28 166.69 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.466 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -124.3 158.62 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -108.99 147.69 31.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.428 ' HB ' ' NH1' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -146.55 62.43 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -33.44 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -121.92 15.76 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -80.31 172.58 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.447 ' CB ' HD21 ' A' ' 102' ' ' LEU . 22.9 t 38.75 56.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.955 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.6 32.58 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.04 40.28 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 t -127.87 168.91 14.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.06 156.43 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -104.95 104.17 13.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.11 28.23 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.39 -82.32 1.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -111.85 148.35 33.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 113.53 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.968 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.78 17.07 33.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD11 ' CD ' ' A' ' 34' ' ' PRO . 50.1 tp -109.3 116.69 32.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -84.59 154.48 62.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.06 165.46 31.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ASP . 7.4 mtt180 -149.8 173.73 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 49.09 51.7 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.89 117.6 29.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.76 168.9 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 97' ' ' VAL . . . -145.9 119.11 8.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 24' ' ' LEU . 1.2 p -119.66 104.94 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CG ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -66.64 140.34 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -141.83 -178.28 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 1.3 7.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -130.3 19.1 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 119.17 -142.52 16.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG12 ' CZ ' ' A' ' 78' ' ' PHE . 1.3 p -134.77 127.1 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HG ' ' NE2' ' A' ' 26' ' ' HIS . 0.5 OUTLIER -87.92 102.06 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 3.0 mt -89.6 125.52 35.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -116.52 122.01 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.642 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 47.3 p90 -127.47 175.64 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -117.93 147.75 41.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.02 28.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.56 -27.33 62.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.13 107.01 19.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 2.1 t -129.53 142.36 45.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.93 -16.36 20.43 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.563 1.823 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 3.4 tttt 175.91 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' LYS . 13.8 tpt180 -122.36 144.92 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.43 130.39 35.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 4.8 t0 -86.83 -28.24 23.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.45 169.72 12.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CE1' HD23 ' A' ' 37' ' ' LEU . 56.5 m-85 -109.88 176.62 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 83' ' ' PHE . 53.9 t -132.43 106.2 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -80.86 111.53 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.513 ' OE2' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -114.0 118.71 34.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.14 15.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 22.8 ptt180 179.2 153.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 3.3 pt20 -117.31 153.88 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.06 27.87 2.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m 65.82 32.41 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -69.33 -172.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.13 119.67 18.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 39.7 m95 -49.25 120.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' CG ' HD21 ' A' ' 54' ' ' LEU . 1.1 pt-20 -116.94 136.67 52.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.571 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.7 m -84.69 108.76 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 42' ' ' LEU . 55.5 mt -68.41 -36.35 78.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 8.5 t0 -153.0 108.16 2.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.78 9.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.4 104.87 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ALA . 80.7 t -124.88 129.12 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 62' ' ' GLU . . . -38.27 131.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.04 -2.01 57.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.6 p -110.68 -27.56 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 2.4 mm-40 -50.09 150.66 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -126.49 -2.92 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 39.8 mp0 -150.74 167.84 26.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 42' ' ' LEU . 8.8 tp -157.31 144.54 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.6 126.87 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 70' ' ' LEU . 76.7 t -117.72 101.48 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.519 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.1 Cg_endo -74.99 -11.23 21.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -56.39 -110.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 1.4 mp 45.62 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -146.51 -149.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -134.9 138.37 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 3.7 t0 75.85 36.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.6 m -155.71 151.34 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -103.31 96.86 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.652 ' CE1' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -81.53 124.15 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.3 mt-10 -91.06 179.73 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 23' ' ' VAL . 89.4 m-85 -164.22 134.63 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 9.5 ptt180 -138.65 130.86 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.7 tp -102.46 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 71.6 t -133.62 102.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.89 128.23 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' A' ' 41' ' ' VAL . 31.6 p90 -130.51 144.69 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -127.59 104.91 8.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 29.01 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER 86.16 -59.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -57.96 127.61 32.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -124.15 118.74 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 19.4 p -76.26 166.88 22.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 54.7 m-20 -72.89 155.67 90.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.488 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.02 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' ASN . 16.7 p -45.02 167.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 14' ' ' LEU . 6.8 p-10 -38.44 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -88.1 130.98 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.23 147.26 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.482 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 4.7 p30 -142.23 141.48 32.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.506 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -127.13 154.63 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 45.0 t -106.24 141.18 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 p -129.4 8.69 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 p -104.83 -23.17 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.43 35.08 4.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.414 HD21 ' NH2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -91.73 172.98 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t 46.92 69.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.29 108.5 0.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 t -171.55 117.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.6 p -131.18 140.04 49.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.36 110.34 15.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -121.31 35.23 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.35 72.45 0.25 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -178.13 168.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t 60.83 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.23 58.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 42.9 tp -89.21 125.83 35.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -84.42 137.6 39.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -145.0 169.44 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.57 41.91 82.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -84.29 109.01 17.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 2.0 m -129.6 168.2 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' CB ' HG11 ' A' ' 97' ' ' VAL . . . -132.9 109.1 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG11 ' NE2' ' A' ' 26' ' ' HIS . 3.8 p -101.46 116.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.48 121.55 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.456 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.6 p -118.66 165.89 15.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -117.62 -9.62 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.0 -138.8 6.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' CG2' ' CD2' ' A' ' 70' ' ' LEU . 2.7 t -129.16 115.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.597 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -89.8 114.51 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.624 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -92.72 111.61 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.597 ' NE2' ' HB3' ' A' ' 24' ' ' LEU . 6.3 m170 -97.85 125.48 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.554 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.2 p90 -135.67 177.48 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -123.03 154.02 64.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.45 35.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 124.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.12 -36.15 48.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.66 90.28 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG22 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.97 148.95 58.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' HG22 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.04 -33.43 4.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 2.5 mttm -149.23 -106.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -124.9 151.13 45.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -71.27 102.63 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 5.9 t70 -62.62 -36.24 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 163.2 151.51 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.591 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 93.0 m-85 -96.86 174.76 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.6 t -137.29 106.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 54' ' ' LEU . 3.4 tm? -83.17 129.46 35.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -131.31 122.46 26.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.56 177.18 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 177.72 146.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.2 pt20 -114.52 153.81 29.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.78 -119.45 16.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.578 1.173 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.78 34.32 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -173.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.15 140.34 15.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.452 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 59.9 m95 -56.29 130.01 42.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' HG3' ' A' ' 43' ' ' GLU . 5.1 pt-20 -131.9 137.12 47.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.51 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.5 m -79.38 113.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.564 ' CD1' HD12 ' A' ' 42' ' ' LEU . 11.6 mt -76.33 -20.48 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -165.63 105.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.62 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.69 108.35 19.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ALA . 40.3 t -126.73 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.27 124.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -5.66 44.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.8 p -105.21 -9.57 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.383 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.43 156.38 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -133.61 5.03 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.1 mp0 -152.01 167.29 28.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 9.4 tp -162.7 152.76 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -110.27 143.8 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.52 HG12 ' CD1' ' A' ' 70' ' ' LEU . 57.8 t -137.29 85.32 21.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.93 13.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -41.77 -35.88 1.59 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 23' ' ' VAL . 6.0 mp -39.0 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.67 -124.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -135.99 -91.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.539 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -66.2 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.3 m -158.05 164.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -121.25 92.45 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.1 m-85 -83.95 130.93 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 8.3 mt-10 -93.36 -176.85 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CE1' HD21 ' A' ' 25' ' ' LEU . 75.5 m-85 -160.09 147.85 16.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 11.2 ptt180 -159.78 124.85 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.749 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.3 tp -101.01 142.02 33.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 91' ' ' PRO . 62.1 t -131.73 103.92 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.13 126.31 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -132.28 135.54 46.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 157.4 34.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 32.46 -96.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -126.66 22.65 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.958 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-85 -110.95 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.06 116.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 12.9 p -79.79 163.6 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 48.5 m-20 -70.52 156.38 92.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.489 ' HB3' ' CG2' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' ASN . 34.0 p -40.62 163.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.7 p-10 -36.52 151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -89.21 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -128.9 150.98 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.3 p30 -151.14 167.75 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.486 HG11 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.69 158.67 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 t -113.33 132.22 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -130.16 81.32 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.95 -33.94 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.28 61.93 0.47 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD11 ' CD ' ' A' ' 18' ' ' ARG . 2.8 mm? -106.99 172.94 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -59.96 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 41.34 -145.95 0.53 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 57.87 4.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.84 102.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -56.84 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -85.01 152.2 23.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.37 37.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.49 178.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -104.02 51.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -52.09 136.4 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.6 26.27 2.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 45.3 tp -111.92 117.49 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -85.45 150.62 54.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -152.54 -177.45 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.51 41.16 6.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 27' ' ' TRP . 66.5 tp -88.23 122.2 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.53 168.11 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 25' ' ' LEU . . . -133.45 113.02 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.61 ' CG1' ' CE1' ' A' ' 26' ' ' HIS . 2.2 p -103.31 111.4 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -67.53 124.74 24.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.82 177.02 2.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.469 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.03 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -73.83 -7.84 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.94 -136.85 7.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.609 ' HB ' ' CD2' ' A' ' 70' ' ' LEU . 8.5 t -127.91 127.6 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -104.59 121.06 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.55 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 6.5 mt -100.53 127.01 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.61 ' CE1' ' CG1' ' A' ' 17' ' ' VAL . 1.7 m170 -113.33 116.3 29.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.725 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.2 p90 -124.0 177.63 5.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -124.05 147.57 54.65 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 149.58 36.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.94 140.78 26.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.762 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -47.61 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mt -84.41 115.01 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t -132.85 144.12 51.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -15.71 20.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.48 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.65 138.18 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -70.58 131.4 43.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -86.92 -26.66 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.42 156.35 7.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.587 ' CE1' HD22 ' A' ' 37' ' ' LEU . 23.9 m-85 -98.2 177.94 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 ' CG1' ' HB ' ' A' ' 81' ' ' VAL . 1.1 p -133.75 111.36 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 25' ' ' LEU . 18.0 tp -80.26 120.76 24.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -124.81 111.27 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.7 177.5 18.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 30.0 ptt180 -178.57 153.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mt-30 -87.08 179.79 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -38.87 114.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' GLY . 3.8 t 37.64 53.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -108.92 -172.41 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.05 138.85 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 63.1 m95 -65.91 111.06 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 13.4 pt-20 -101.19 130.3 47.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.26 100.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 59.7 mt -68.42 -49.82 57.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.89 105.35 0.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.99 -19.83 17.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.407 1.74 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.05 98.22 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 44.6 t -125.76 130.32 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' ' CG ' ' A' ' 62' ' ' GLU . . . -37.33 124.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -7.99 46.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.2 p -107.88 -18.47 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 2.3 mm-40 -57.67 160.18 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.411 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 17.2 p -136.97 9.62 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -170.89 172.18 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.487 ' CD2' HD22 ' A' ' 42' ' ' LEU . 9.6 tp -166.28 155.02 10.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 13.6 tp -93.8 139.61 30.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -134.62 65.25 66.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.0 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -7.02 86.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.609 ' CD2' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.63 159.88 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 74' ' ' VAL . 2.1 mm -103.96 171.6 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -108.57 142.68 38.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 2.2 t70 82.68 18.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 71' ' ' ILE . 18.4 m -138.42 179.5 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.499 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -125.55 94.79 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.4 m-85 -81.97 120.27 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 5.0 mt-10 -88.76 179.89 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 93.5 m-85 -161.77 157.35 24.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.3 ptt180 -162.44 126.51 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.725 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -100.86 141.74 33.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 89' ' ' SER . 0.6 OUTLIER -129.53 105.98 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.51 111.07 9.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 11.6 p90 -124.57 138.77 54.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -131.27 119.95 22.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.05 -98.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -111.07 0.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.954 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' ALA . 39.1 m-85 -93.35 118.56 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.01 110.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 23.4 p -76.96 166.85 22.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 46.1 m-20 -73.04 154.11 90.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -75.05 110.71 3.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.9 p -43.65 173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -44.46 173.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 1.5 m -103.6 127.83 50.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.2 124.06 47.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.478 ' CB ' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -107.53 146.61 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -117.91 143.44 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -110.81 142.03 43.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -149.8 80.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 t -115.16 -33.24 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.06 -32.78 47.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 103' ' ' SER . 5.9 mp -66.2 161.12 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.442 ' CB ' ' HD3' ' A' ' 72' ' ' LYS . 0.3 OUTLIER 38.8 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.62 165.72 11.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.08 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -159.67 158.21 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 t -159.48 145.04 15.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.157 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 22.2 tp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -81.63 145.59 54.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 171.43 18.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 176.6 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.9 mtt180 -151.28 173.7 14.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.97 42.44 54.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.18 115.46 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 26' ' ' HIS . 2.7 m -133.94 167.36 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -136.23 119.46 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 24' ' ' LEU . 3.9 p -111.44 110.12 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -66.91 125.39 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.64 174.57 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.22 3.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -80.73 -12.53 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.25 -141.9 8.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.083 HG21 HD12 ' A' ' 70' ' ' LEU . 35.4 t -128.88 119.93 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -93.65 134.74 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.774 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.6 mt -116.89 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 13' ' ' GLY . 2.4 m170 -115.14 126.38 54.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 25.8 p90 -135.34 177.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -121.34 147.77 48.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HG2' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 107.75 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -32.47 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -90.63 110.23 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.725 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -135.42 143.76 46.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -15.31 20.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 10.9 ttpt 177.94 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 17.7 ttm180 -125.76 146.12 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 ' HA2' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -81.79 134.75 35.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -31.65 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 145.64 157.18 7.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 46.5 m-85 -97.37 179.33 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -137.36 113.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 25' ' ' LEU . 30.1 tp -84.95 119.31 25.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 2.4 mt-10 -123.68 115.4 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.33 -179.02 15.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CZ ' ' CE2' ' A' ' 51' ' ' TRP . 28.0 ptt180 177.44 154.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.74 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 35.4 mt-30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CE2' ' CZ ' ' A' ' 45' ' ' ARG . 60.9 m95 -57.99 105.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.71 129.05 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG12 ' HD3' ' A' ' 56' ' ' PRO . 44.6 t -75.09 99.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.68 HD13 HG11 ' A' ' 67' ' ' VAL . 49.7 mt -64.48 -45.84 85.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.75 103.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.97 -20.88 16.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.55 97.69 7.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ALA . 93.3 t -126.18 130.15 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.22 131.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.559 ' HA2' HD22 ' A' ' 37' ' ' LEU . . . -74.1 -1.0 58.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.2 p -114.59 -19.67 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -57.52 149.14 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 p -121.04 4.91 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.79 173.09 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.726 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.7 tp -165.43 153.07 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.2 tp -100.27 139.69 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 54' ' ' LEU . 54.2 t -140.41 82.79 15.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.03 18.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.565 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.5 50.3 2.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 23' ' ' VAL . 3.1 mt -112.81 159.14 19.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.788 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.6 mm -111.42 152.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 160.28 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.83 9.74 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.788 HG21 ' HB ' ' A' ' 71' ' ' ILE . 31.4 m -131.99 174.63 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -127.35 98.34 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -80.42 131.24 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.7 mt-10 -91.49 -178.2 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.923 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 72.0 m-85 -161.76 154.75 20.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 14.5 ptt180 -163.37 122.59 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -104.85 132.32 51.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -131.37 107.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -72.75 147.53 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.712 ' CB ' HG12 ' A' ' 88' ' ' VAL . 16.8 p90 -150.89 141.64 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -117.66 107.7 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.04 -113.03 1.26 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.86 58.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 0.804 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -84.32 148.47 26.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.2 m -140.53 161.54 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.0 p -124.16 160.24 28.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 4.2 m-20 -69.26 154.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.549 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.98 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.763 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 80' ' ' LEU . 53.0 p -41.22 165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -37.08 154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 12.7 m -80.84 138.87 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -110.24 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.443 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -114.48 145.16 42.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -120.15 147.87 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 83' ' ' PHE . 57.4 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -80.29 148.6 67.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.96 169.44 22.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.96 176.3 10.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.84 179.89 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.33 50.17 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.9 tp -94.56 127.39 40.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.9 m -144.53 167.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.567 HG11 ' NE2' ' A' ' 26' ' ' HIS . 1.5 p -107.74 117.02 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.84 135.9 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -134.23 178.53 1.72 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.03 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -9.15 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 145.91 -144.85 13.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' VAL . 42.2 t -117.66 139.87 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.797 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 ' HB3' ' HE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -115.64 127.71 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 78' ' ' PHE . 7.2 mt -108.74 127.18 53.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.579 ' HE1' ' HB3' ' A' ' 24' ' ' LEU . 1.2 m-70 -113.54 113.06 24.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.794 ' HB3' HD13 ' A' ' 14' ' ' LEU . 30.8 p90 -120.14 177.39 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -123.51 147.42 52.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.93 36.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 128.09 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.75 -36.74 70.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 32' ' ' LEU . 5.8 mt -93.42 111.72 23.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -129.12 142.35 44.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.97 -15.04 21.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt 174.2 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.71 150.3 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -88.54 133.21 34.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.0 -30.35 16.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 147.67 165.6 12.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.577 1.173 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.666 ' CE1' HD22 ' A' ' 37' ' ' LEU . 31.3 m-85 -106.88 177.79 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.691 HG23 ' CE2' ' A' ' 83' ' ' PHE . 79.3 t -131.14 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -87.98 114.68 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.549 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mt-10 -119.25 128.37 54.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.68 178.96 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 18.3 ptt180 176.16 153.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 4.6 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.422 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 96.5 m95 -65.38 105.2 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.8 pt-20 -95.09 107.0 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.01 104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' A' ' 42' ' ' LEU . 66.5 mt -75.66 -45.56 36.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.13 106.03 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -43.09 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 107.65 19.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.5 t -126.34 129.44 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -36.63 131.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -3.44 55.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.9 p -114.21 -25.29 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 2.8 mm-40 -50.9 141.16 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -115.74 7.58 14.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -169.88 172.16 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -162.79 152.43 15.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 23' ' ' VAL . 16.8 tp -91.69 141.68 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.988 HG23 ' HB ' ' A' ' 23' ' ' VAL . 2.9 m -139.13 70.85 41.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.98 20.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.12 -23.9 60.19 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.977 HD12 HG21 ' A' ' 23' ' ' VAL . 2.5 mt -47.95 174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.2 mt -141.38 -172.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -110.79 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.74 19.58 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.29 165.39 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -125.22 97.32 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.701 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 4.0 m-85 -83.28 139.47 33.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.6 mt-10 -102.27 -176.6 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.83 ' CD2' HD21 ' A' ' 25' ' ' LEU . 46.0 m-85 -159.54 155.68 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 5.7 ptt180 -164.24 122.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.769 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -103.32 139.19 39.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.09 110.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.07 146.63 45.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.8 p90 -152.39 133.53 14.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -117.23 106.62 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 25.09 93.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 m 90.94 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 78.1 m-85 -58.75 123.08 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.41 111.77 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.4 p -78.05 161.27 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 37.5 m-20 -69.28 154.65 94.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.04 110.06 3.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' PRO . 41.5 p -43.28 169.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.473 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 p-10 -39.16 160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -90.63 132.75 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -122.46 144.51 49.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.13 165.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.57 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -126.66 164.96 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' A' ' 34' ' ' PRO . 49.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -82.27 146.59 54.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.04 170.79 19.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.6 mtt180 -154.51 -177.88 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.75 47.46 7.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.0 tp -92.31 127.64 37.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.3 167.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -136.05 122.88 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.3 p -115.64 114.52 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -72.42 123.68 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.44 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -126.24 178.91 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -38.83 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -75.37 -12.28 60.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.15 -138.18 6.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.995 HG21 HD12 ' A' ' 70' ' ' LEU . 91.4 t -131.21 121.59 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -96.85 131.88 43.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HD21 ' A' ' 42' ' ' LEU . 9.9 mt -111.47 131.17 55.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.27 113.54 23.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.553 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.702 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 32.5 p90 -120.35 177.44 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.4 m-20 -120.85 149.79 51.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.0 153.87 42.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 120.99 6.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.65 -27.53 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.2 mt -112.62 102.34 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -131.4 153.93 81.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.02 -38.07 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' H ' HG23 ' A' ' 33' ' ' VAL . 29.6 tttt -148.54 -106.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 39.2 ptt180 -119.06 151.44 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.56 115.19 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.92 -34.44 57.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.587 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.73 153.96 7.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.9 m-85 -100.55 176.87 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' HG13 ' A' ' 81' ' ' VAL . 72.3 t -129.5 106.6 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 65' ' ' LEU . 1.9 tp -84.63 116.26 23.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -120.76 120.58 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -123.1 175.59 16.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.8 ptt180 177.48 150.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.5 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 44.3 m95 -41.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.1 pt-20 -107.38 117.49 34.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.33 118.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 67' ' ' VAL . 52.9 mt -83.79 -36.67 23.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -156.95 106.74 1.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 107.19 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ALA . 77.0 t -125.74 132.1 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.96 125.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.49 -5.88 56.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.9 p -112.74 1.55 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.586 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -79.99 159.57 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -133.32 7.4 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.14 171.38 9.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 42' ' ' LEU . 12.4 tp -166.45 153.94 9.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -98.88 135.23 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 54' ' ' LEU . 71.3 t -131.73 83.68 56.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.65 49.89 2.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.995 HD12 HG21 ' A' ' 23' ' ' VAL . 2.8 mt -113.46 159.39 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.737 ' HB ' HG21 ' A' ' 74' ' ' VAL . 3.7 mm -116.72 169.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -102.33 152.36 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.04 17.18 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.737 HG21 ' HB ' ' A' ' 71' ' ' ILE . 11.9 m -132.1 169.07 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -123.87 94.8 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.64 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.6 m-85 -81.67 126.76 32.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.7 mt-10 -91.7 -177.13 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.739 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 86.3 m-85 -162.66 136.81 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.2 ptt180 -144.49 122.64 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.7 tp -102.2 141.05 35.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.18 109.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.23 141.81 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -145.89 139.38 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.054 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 105.99 10.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 26.7 93.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.4 t 87.76 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 94.1 m-85 -58.06 117.46 4.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -116.99 113.16 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.1 p -76.29 160.01 30.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 51.1 m-20 -68.53 154.88 93.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 93' ' ' ASN . 26.8 p -45.51 173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -43.5 168.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -102.08 133.3 47.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.8 150.17 44.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.773 ' HB2' HD12 ' A' ' 75' ' ' LEU . 24.9 p30 -150.37 166.69 29.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.6 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -133.37 134.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -79.32 150.95 74.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.94 170.61 20.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.97 176.09 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.36 -175.49 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.7 46.02 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -87.94 126.02 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m -149.16 168.51 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -133.86 153.03 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.9 p -148.08 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 135.17 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.59 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.2 p -138.73 -172.75 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.96 -31.05 6.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.64 ' O ' HD21 ' A' ' 66' ' ' LEU . 25.2 mtt180 -91.64 -4.67 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' THR . . . 134.77 -167.63 23.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.041 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.16 120.31 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -89.76 131.03 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 16' ' ' ALA . 8.6 mt -107.38 127.47 53.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -113.82 122.6 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 35.4 p90 -128.73 177.4 7.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -122.2 150.54 57.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.0 149.79 37.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -58.63 -20.59 48.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.4 mt -108.46 108.23 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.9 t -129.64 142.35 45.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.638 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.05 -13.27 21.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 172.3 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 145.18 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -83.24 133.07 35.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.89 -33.66 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 154.68 170.61 20.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' HD22 ' A' ' 37' ' ' LEU . 85.8 m-85 -112.34 176.97 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.15 105.45 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 65' ' ' LEU . 29.1 tp -87.2 118.72 26.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -121.64 127.52 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.78 177.77 16.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 21.1 ptt180 176.49 153.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.713 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.5 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' ' NH1' ' A' ' 79' ' ' ARG . 57.7 m95 -55.23 125.06 19.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.6 pt-20 -116.67 125.93 52.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.2 112.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 67' ' ' VAL . 80.7 mt -78.7 -52.33 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -142.22 106.31 5.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.91 105.48 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ALA . 60.9 t -126.23 126.43 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -36.56 128.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.6 -3.04 39.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.9 p -109.11 -22.29 12.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 0.806 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.821 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -58.15 151.52 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -124.52 -11.15 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 mp0 -147.17 172.01 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 42' ' ' LEU . 12.5 tp -164.2 154.31 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.64 HD21 ' O ' ' A' ' 21' ' ' ARG . 4.5 tp -101.9 138.49 38.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 54' ' ' LEU . 53.6 t -140.29 80.41 19.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.36 20.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -73.13 53.15 1.78 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.041 HD12 HG11 ' A' ' 23' ' ' VAL . 3.9 mt -115.1 159.1 21.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.842 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.9 mm -113.34 156.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.66 157.22 16.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t0 66.97 16.78 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.842 HG21 ' HB ' ' A' ' 71' ' ' ILE . 33.9 m -133.9 173.79 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.13 94.21 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.5 m-85 -81.08 122.03 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -89.87 174.61 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.74 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 73.6 m-85 -152.87 160.7 43.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.618 ' NH1' ' CE2' ' A' ' 51' ' ' TRP . 2.4 ptm180 -165.78 133.58 2.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.7 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.4 tp -115.44 137.67 51.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.581 HG12 ' HB3' ' A' ' 91' ' ' PRO . 2.0 m -136.39 112.65 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.71 141.39 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 39' ' ' GLY . 22.0 p90 -144.29 128.77 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.2 107.68 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.31 -111.11 3.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 -8.03 49.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -86.75 131.41 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.4 120.71 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 82' ' ' ALA . 9.3 p -84.73 162.36 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.9 OUTLIER -72.32 156.61 90.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 111.03 3.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 14' ' ' LEU . 61.5 p -45.54 172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.9 p-10 -39.68 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -94.68 128.24 41.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.86 149.46 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 35.4 p30 -151.17 167.66 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.547 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -124.01 166.65 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.028 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.407 ' HB2' ' HG3' ' A' ' 34' ' ' PRO . 41.6 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 3.7 m -79.56 152.06 75.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.01 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.04 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.8 mtt180 -156.05 179.53 9.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 56.23 15.13 9.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -56.99 98.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.7 p -125.64 168.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -132.86 164.51 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 24' ' ' LEU . 4.5 p -159.91 102.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' C ' ' CG2' ' A' ' 19' ' ' THR . 2.4 ttt-85 -64.79 148.1 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.49 -177.65 0.77 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.97 -35.32 3.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -84.15 -20.18 32.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 19' ' ' THR . . . 144.94 164.69 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.23 117.05 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -88.27 132.08 34.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.73 HD12 HD21 ' A' ' 42' ' ' LEU . 11.2 mt -106.68 128.84 54.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . 6.4 m170 -113.96 129.39 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.713 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -136.12 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -121.08 149.64 51.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.14 33.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.27 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.49 -18.76 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.5 mp -107.16 96.16 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -120.36 145.37 40.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.83 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.98 -16.16 20.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt 177.22 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 150.93 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -89.0 129.78 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.4 t0 -87.55 -29.64 21.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.84 170.35 17.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.705 ' CE1' HD22 ' A' ' 37' ' ' LEU . 76.8 m-85 -111.67 177.49 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' CE2' ' A' ' 83' ' ' PHE . 64.9 t -133.31 105.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 65' ' ' LEU . 4.2 tp -84.32 120.61 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.2 mt-10 -125.85 124.83 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.554 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.61 177.32 17.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 6.0 ptt180 178.15 147.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.433 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 85.6 m95 -57.32 111.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.7 pt-20 -103.93 114.77 29.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.25 117.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 67' ' ' VAL . 24.4 mt -86.15 -35.29 20.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.504 ' OD2' HG22 ' A' ' 58' ' ' VAL . 35.6 t0 -159.5 106.35 1.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.429 1.752 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.66 106.52 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' OD2' ' A' ' 55' ' ' ASP . 61.0 t -126.04 128.88 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.31 128.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.29 -8.99 63.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.5 p -108.08 -13.63 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -60.68 157.45 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -133.81 10.79 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.593 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -175.19 168.07 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 42' ' ' LEU . 16.3 tp -161.55 154.15 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 tp -99.16 132.09 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 54' ' ' LEU . 77.0 t -129.59 81.91 68.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -8.26 19.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.563 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.26 50.24 2.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.042 HD12 HG11 ' A' ' 23' ' ' VAL . 2.4 mt -113.01 161.97 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.2 mm -118.97 160.42 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.27 7.87 5.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.724 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.3 m -125.96 173.3 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.83 94.27 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.642 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.81 126.72 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.45 -177.97 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.751 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 65.7 m-85 -160.41 143.93 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.4 ptt180 -152.46 125.05 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.713 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.4 tp -101.59 136.81 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 89' ' ' SER . 43.1 t -129.42 105.3 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.96 135.31 41.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 19.9 p90 -139.5 141.83 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.21 104.06 8.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.25 90.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 t 91.04 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 5.3 m-30 -57.44 138.05 55.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -133.6 130.38 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 81' ' ' VAL . 59.9 p -93.77 166.38 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -70.73 155.51 93.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.571 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 103.32 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' ASN . 65.7 p -40.52 162.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.687 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.03 151.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.4 m -84.49 149.87 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -139.13 141.25 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 75' ' ' LEU . 53.8 p30 -145.86 155.81 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.501 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.99 142.85 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 27.3 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -79.56 150.31 72.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 164.84 32.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.98 13.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.5 mtt180 -150.42 -168.2 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.75 34.54 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -77.93 127.74 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.4 m -152.0 168.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.708 ' CB ' HG12 ' A' ' 97' ' ' VAL . . . -128.78 168.72 15.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.0 p -162.39 108.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 129.15 39.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -132.44 -174.93 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 -37.14 2.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD21 ' A' ' 66' ' ' LEU . 13.0 mtt180 -85.12 -7.23 59.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 142.67 -161.77 27.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.2 m -113.85 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -82.55 148.97 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 mt -124.74 110.98 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.1 m170 -98.0 129.5 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.716 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 19.0 p90 -136.54 178.61 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -119.54 146.4 41.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.42 31.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.783 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.83 -33.55 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -91.65 113.96 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.8 t -135.37 143.22 44.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.685 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -11.46 21.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.801 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 6.9 mtmt 168.38 -85.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.61 156.34 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -91.31 133.77 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -92.17 -23.93 19.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 141.15 166.13 10.61 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.73 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 90.6 m-85 -108.2 176.86 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' CE2' ' A' ' 83' ' ' PHE . 74.6 t -131.81 104.89 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -85.59 114.63 22.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.517 ' CD ' HG22 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -121.82 121.51 37.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -122.44 177.66 16.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 22.1 ptt180 -178.61 148.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 10.5 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 87.9 m95 -51.64 113.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -101.99 118.55 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 43' ' ' GLU . 73.4 t -59.36 105.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 42' ' ' LEU . 47.2 mt -78.19 -52.42 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -142.64 105.02 5.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.99 107.69 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 59' ' ' ALA . 10.3 t -125.97 130.38 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.78 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -34.34 122.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.12 56.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.9 p -109.71 -8.98 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.78 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.2 158.67 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.446 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -135.51 7.49 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 55.7 mp0 -152.26 168.63 24.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -167.07 144.76 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.8 tp -113.57 135.94 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.779 HG12 ' CD2' ' A' ' 70' ' ' LEU . 72.4 t -129.44 91.0 42.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.57 21.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.57 53.05 2.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.779 ' CD2' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -110.31 158.08 18.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.869 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -102.6 170.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.79 -126.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.513 ' C ' HG13 ' A' ' 74' ' ' VAL . 10.9 t0 -56.22 85.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.869 HG21 ' HB ' ' A' ' 71' ' ' ILE . 10.6 m -156.87 169.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.58 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -125.95 92.56 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CB ' HD13 ' A' ' 70' ' ' LEU . 3.1 m-85 -83.04 128.71 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 6.4 mt-10 -91.3 178.31 6.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 25' ' ' LEU . 66.7 m-85 -161.62 138.78 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.98 126.29 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.2 tp -102.79 135.97 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.975 HG13 ' O ' ' A' ' 89' ' ' SER . 37.4 t -129.93 103.45 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.73 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.1 127.86 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 41' ' ' VAL . 25.0 p90 -132.28 142.9 49.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HD22 ' A' ' 8' ' ' LEU . . . -127.64 108.87 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.36 -98.31 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.24 5.62 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.22 132.24 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' A' ' 81' ' ' VAL . 11.4 t -122.05 124.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.975 ' O ' HG13 ' A' ' 81' ' ' VAL . 32.6 p -86.77 166.96 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -71.48 152.75 93.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.542 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.893 ' OG ' HD12 ' A' ' 14' ' ' LEU . 76.2 p -39.39 162.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 92' ' ' SER . 1.5 p-10 -35.35 151.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -84.47 133.44 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -118.78 146.64 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.58 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -150.66 162.72 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.708 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.51 137.23 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 30.4 tp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -86.44 145.54 40.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.06 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 171.29 18.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -142.78 176.38 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.11 43.07 24.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.665 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.5 tm? -82.66 129.33 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 ' N ' HD13 ' A' ' 14' ' ' LEU . 3.7 m -150.07 167.96 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -137.32 125.72 23.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.525 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -113.97 121.5 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -74.85 119.06 18.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -115.59 171.92 4.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.73 20.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 -26.75 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.4 -142.29 6.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.044 HG21 HD12 ' A' ' 70' ' ' LEU . 45.2 t -130.87 112.36 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.1 tp -87.69 127.82 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 42' ' ' LEU . 7.5 mt -103.77 132.48 49.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.8 m-70 -115.98 117.36 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.558 ' HB3' HD23 ' A' ' 14' ' ' LEU . 23.2 p90 -130.89 177.62 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -120.92 149.45 50.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -75.03 141.4 26.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.01 113.28 3.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -37.73 87.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -84.25 98.68 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.612 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -127.27 142.3 43.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.612 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 -12.49 21.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -126.33 174.75 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -98.75 105.7 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -33.14 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 58' ' ' VAL . . . 148.63 163.7 11.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.742 ' CD2' HD13 ' A' ' 80' ' ' LEU . 7.0 m-85 -109.15 179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' CE2' ' A' ' 83' ' ' PHE . 55.6 t -132.02 104.14 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 25' ' ' LEU . 1.5 tm? -84.31 115.36 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -110.4 171.01 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.665 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -169.84 170.48 42.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 7.8 ptt180 178.57 147.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 3.8 pm0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 93.1 m95 -65.28 138.66 58.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' HD23 ' A' ' 54' ' ' LEU . 7.2 pt-20 -128.64 109.99 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.34 100.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.781 HD13 HG11 ' A' ' 67' ' ' VAL . 21.6 mt -68.94 -40.01 79.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.16 106.8 2.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.13 107.83 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 58.3 t -125.77 131.16 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.17 127.75 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -9.07 61.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -112.05 -8.49 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.442 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.743 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.47 149.06 50.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -123.23 8.67 9.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -169.42 173.67 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.7 tp -165.1 154.07 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.8 tp -101.93 140.26 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 54' ' ' LEU . 35.7 t -142.7 81.87 12.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -10.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.654 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -69.77 53.06 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HG21 ' A' ' 23' ' ' VAL . 5.9 mt -117.14 160.25 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.664 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.4 mm -115.45 163.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -99.07 159.98 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.69 6.69 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG21 ' HB ' ' A' ' 71' ' ' ILE . 32.3 m -129.02 174.9 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.77 96.51 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 70' ' ' LEU . 1.8 m-85 -81.04 127.28 32.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.94 179.47 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.647 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -155.8 159.11 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.498 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 4.5 ptt180 -164.87 129.06 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.742 HD13 ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -102.64 133.44 47.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 89' ' ' SER . 41.1 t -127.53 98.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -73.83 144.06 45.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.689 ' CB ' HG12 ' A' ' 88' ' ' VAL . 18.8 p90 -148.37 143.9 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.69 107.59 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.15 4.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -1.71 57.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-30 -99.11 149.44 23.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.689 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.4 m -139.64 161.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.855 ' O ' HG13 ' A' ' 81' ' ' VAL . 27.1 p -120.45 165.08 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 34.4 m-20 -68.94 158.41 86.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.574 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' ASN . 26.2 p -40.25 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -35.94 152.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 3.1 m -88.3 138.35 31.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -129.56 150.55 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.645 ' HB2' HD12 ' A' ' 75' ' ' LEU . 52.7 p30 -149.56 163.05 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG11 HG13 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -129.04 133.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 57.5 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.78 148.43 51.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.5 Cg_endo -74.96 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.4 mtt180 -152.34 174.34 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 61.11 11.1 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.16 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.2 p -125.48 168.47 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.649 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -131.17 163.73 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 24' ' ' LEU . 3.5 p -156.83 104.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.547 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -65.87 145.33 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.34 -177.1 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -37.77 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -18.7 48.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 19' ' ' THR . . . 142.41 166.3 10.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.24 114.79 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.745 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -86.43 137.77 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.649 HD23 ' CB ' ' A' ' 16' ' ' ALA . 10.9 mt -111.43 134.97 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.619 ' HB2' HG12 ' A' ' 15' ' ' VAL . 2.4 m-70 -120.2 128.6 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.577 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.707 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.9 p90 -136.21 177.89 7.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -124.53 153.73 69.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 152.29 40.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' HG3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.99 123.22 7.73 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.54 -19.22 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -113.11 81.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.79 150.65 44.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -75.03 -33.94 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 13.8 mtmt -161.02 -104.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -113.41 147.93 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -82.67 121.03 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -20.2 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.637 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 143.21 159.48 7.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 37' ' ' LEU . 84.9 m-85 -102.04 176.8 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.98 HG12 ' OE1' ' A' ' 43' ' ' GLU . 62.5 t -131.23 104.04 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 54' ' ' LEU . 2.7 tm? -85.45 118.94 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.98 ' OE1' HG12 ' A' ' 41' ' ' VAL . 1.6 mp0 -112.26 173.07 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.71 167.5 40.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 20.4 ptt180 -176.53 150.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.717 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 34.5 mt-30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -73.16 112.04 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.2 pt-20 -107.2 114.88 29.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.573 HG22 ' OE2' ' A' ' 43' ' ' GLU . 82.4 t -57.4 107.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 42' ' ' LEU . 31.5 mt -77.13 -42.84 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.86 106.95 2.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.33 104.26 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.3 t -126.5 121.86 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -32.56 128.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.42 52.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.7 p -110.88 -17.5 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.581 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 mm-40 -58.1 160.03 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 18.4 p -136.72 9.79 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.591 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.45 169.99 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.672 HD23 ' HG ' ' A' ' 42' ' ' LEU . 4.0 tp -165.37 149.72 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -96.83 142.57 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.702 HG11 HD13 ' A' ' 54' ' ' LEU . 60.0 t -143.19 77.06 16.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.71 20.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.642 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -72.95 53.64 1.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.039 HD12 HG11 ' A' ' 23' ' ' VAL . 6.4 mt -116.79 158.96 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.661 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.3 mm -106.25 171.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.551 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -104.16 149.51 25.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.5 t0 72.8 8.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB ' ' A' ' 71' ' ' ILE . 4.0 m -121.6 170.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.47 94.93 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.721 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.47 133.58 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.0 mt-10 -97.88 -177.66 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.723 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.5 m-85 -161.53 158.89 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.0 ptt180 -165.83 129.94 2.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.707 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 7.0 tp -102.54 145.53 29.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.905 HG13 ' O ' ' A' ' 89' ' ' SER . 49.6 t -138.58 105.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 89' ' ' SER . . . -74.31 136.12 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.2 p90 -145.02 133.07 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -119.51 106.85 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.21 8.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.5 19.1 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.05 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 2.9 m-85 -113.3 140.77 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.63 138.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.905 ' O ' HG13 ' A' ' 81' ' ' VAL . 43.7 p -103.09 166.12 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.36 155.85 92.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.586 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.0 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' ASN . 60.2 p -44.05 167.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.506 ' H ' ' ND2' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -39.55 147.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -81.19 134.93 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.53 144.52 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.0 p30 -150.94 167.03 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -126.5 166.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 34' ' ' PRO . 53.6 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 56.5 p -86.46 141.25 34.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.99 176.54 9.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -154.31 -175.68 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.36 44.51 5.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 27' ' ' TRP . 59.9 tp -88.71 125.16 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -146.94 169.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -129.56 147.69 51.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 24' ' ' LEU . 1.5 p -142.47 104.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 119.76 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.3 p -121.68 -175.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.93 -27.16 10.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.62 ' O ' HD21 ' A' ' 66' ' ' LEU . 1.1 mtt-85 -92.38 -17.91 24.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' THR . . . 150.88 -173.93 30.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 70' ' ' LEU . 1.5 m -97.18 114.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -84.24 128.47 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 42' ' ' LEU . 10.5 mt -107.04 113.97 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 2.2 m170 -100.32 120.84 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.67 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 20.6 p90 -128.66 171.92 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ARG . 2.7 m-20 -116.83 151.4 47.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.0 Cg_endo -75.04 154.65 42.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 114.06 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 2.6 tt0 -65.04 -30.11 71.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.2 mt -111.79 108.52 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.641 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -135.89 148.68 66.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -32.73 5.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 33.1 mttt -150.07 -111.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -117.92 155.63 29.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.61 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -79.23 107.05 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -35.01 75.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.98 155.37 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 64.0 m-85 -100.93 177.53 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.7 t -132.0 106.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 65' ' ' LEU . 2.4 tp -83.91 116.61 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -123.61 119.63 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.94 -178.23 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 12.5 ptt180 179.38 146.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.646 ' OE1' HG21 ' A' ' 74' ' ' VAL . 12.4 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 94.9 m95 -61.43 121.52 12.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.4 pt-20 -110.08 109.43 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.6 t -49.8 104.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 67' ' ' VAL . 36.3 mt -71.45 -47.61 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 2.5 t0 -145.5 106.51 4.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.86 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.41 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' ALA . 94.5 t -125.66 129.09 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.13 124.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.31 -9.22 54.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -105.16 -13.49 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -66.27 146.23 54.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.83 9.23 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -172.45 173.45 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 42' ' ' LEU . 12.7 tp -166.32 154.87 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.7 tp -100.62 139.5 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.574 HG11 ' HE1' ' A' ' 78' ' ' PHE . 69.4 t -130.68 84.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.0 2.54 6.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -79.06 27.04 2.37 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 23' ' ' VAL . 3.0 mt -107.39 160.04 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.612 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -127.46 -155.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -122.52 157.4 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.3 21.37 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.646 HG21 ' OE1' ' A' ' 46' ' ' GLN . 18.6 m -136.81 156.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -117.61 92.93 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.1 m-85 -82.95 126.05 32.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 10.3 mt-10 -90.64 -177.89 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.77 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.3 m-85 -162.75 149.02 12.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 7.2 ptt180 -155.07 122.69 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.4 tp -102.08 140.22 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -137.32 109.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.18 136.94 42.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 10.1 p90 -142.22 134.08 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -116.83 108.13 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.44 -109.53 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.36 -13.96 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' ALA . 64.8 m-85 -86.15 132.6 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.08 142.1 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 5.3 p -109.41 158.53 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.6 m-20 -69.3 156.0 92.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 93' ' ' ASN . 46.5 p -45.98 176.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' SER . 9.6 p-10 -43.89 170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m -101.11 131.81 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -120.85 146.3 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.561 ' HB2' HD12 ' A' ' 75' ' ' LEU . 39.3 p30 -150.11 159.27 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.878 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -116.78 147.19 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 61.2 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.88 148.64 51.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.963 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.07 166.89 28.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.39 29.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -141.12 -179.23 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 50.16 35.05 25.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.036 HD12 ' O ' ' A' ' 93' ' ' ASN . 2.2 tm? -80.42 115.15 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -141.59 168.01 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.92 122.31 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.842 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -112.67 117.54 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' HG23 ' A' ' 97' ' ' VAL . 5.6 tmm_? -69.84 127.59 33.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -130.91 167.49 21.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.7 -13.32 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.2 -135.53 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.9 t -131.69 122.96 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' CD ' ' A' ' 64' ' ' GLU . 5.0 tp -97.1 102.94 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -81.21 110.61 16.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.842 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.5 m170 -98.38 125.13 43.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.777 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.4 p90 -136.03 178.72 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -125.02 152.84 71.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -75.02 152.25 40.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.99 116.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.39 -10.06 59.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' LEU . 8.8 mt -124.99 93.46 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.51 151.05 62.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.4 mtmt -158.29 -104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.3 149.06 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD22 ' CZ ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.52 129.7 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.29 -20.2 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 132.7 159.2 9.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.726 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 12.1 m-85 -102.4 178.9 4.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.07 106.93 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.811 HD21 HD23 ' A' ' 25' ' ' LEU . 19.9 tp -74.54 119.91 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.3 mt-10 -124.27 113.24 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 177.62 16.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 8.1 ptt180 179.87 148.66 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 3.2 pt20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -57.17 110.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.8 pt-20 -103.02 114.1 28.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 41' ' ' VAL . 61.4 t -61.45 109.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 67' ' ' VAL . 29.3 mt -69.17 -40.51 78.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 105.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.7 t -126.29 133.09 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.29 123.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -67.34 -9.16 54.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.5 p -108.82 -12.79 14.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.681 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -63.4 159.61 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -130.52 3.69 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.686 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -170.67 173.1 5.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.0 tp -166.53 154.14 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 6.7 tp -93.73 142.99 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 54' ' ' LEU . 47.8 t -134.98 82.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.52 21.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -77.04 53.1 3.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.664 ' CD1' HG21 ' A' ' 23' ' ' VAL . 1.5 mt -113.28 159.69 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.797 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -112.37 160.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.16 145.27 26.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 72.46 27.8 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.5 m -141.05 173.82 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.04 94.78 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -80.88 130.38 35.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.54 -177.8 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m-85 -163.54 140.33 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -154.11 127.09 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.777 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.5 tp -102.04 139.96 36.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -124.92 103.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.82 110.08 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 11.5 p90 -121.23 139.95 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -126.55 105.15 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.9 90.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.3 t 89.21 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 88.7 m-85 -57.85 124.54 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -123.5 112.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.562 ' O ' HG12 ' A' ' 81' ' ' VAL . 51.5 p -76.45 168.51 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -72.14 153.02 92.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.08 103.86 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 93' ' ' ASN . 37.5 p -36.76 156.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 1.036 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p-10 -35.67 151.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -81.61 144.38 31.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -135.55 147.62 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.525 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -149.61 165.78 31.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.635 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -134.18 137.66 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.963 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 34' ' ' PRO . 32.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -90.72 145.07 31.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.98 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.01 176.99 9.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -149.66 171.8 16.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.31 56.55 9.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -94.64 118.92 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -130.98 167.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.607 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -144.56 114.05 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.3 p -111.08 107.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -65.64 139.48 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.723 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 60.7 p -137.39 173.81 5.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.723 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -134.25 10.15 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 133.63 -148.19 19.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.902 ' CG1' HD11 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -132.91 124.21 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.47 104.63 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.607 HD23 ' CB ' ' A' ' 16' ' ' ALA . 1.1 mt -88.89 134.8 33.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -121.64 117.67 27.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.784 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -124.97 176.6 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.14 150.67 57.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.12 35.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.539 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.97 121.17 6.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.4 mt -111.73 87.82 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -121.5 149.35 52.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -33.65 4.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.7 mtmt -150.9 -108.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 156.03 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.08 110.02 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -38.71 84.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.78 150.84 5.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 55.8 m-85 -96.7 177.11 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.592 HG13 HG23 ' A' ' 81' ' ' VAL . 1.2 p -134.65 111.72 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.035 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.21 110.47 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.801 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.5 mt-10 -116.44 115.18 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.75 177.61 16.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 6.9 ptt180 177.09 149.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.7 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 67.0 m95 -59.1 111.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.3 pt-20 -100.05 110.06 22.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.801 HG22 ' CG ' ' A' ' 43' ' ' GLU . 94.8 t -62.51 105.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.035 HD12 ' CD1' ' A' ' 42' ' ' LEU . 21.7 mt -64.56 -44.39 90.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -165.42 104.69 0.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HA ' HG23 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.97 -16.63 20.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.98 100.69 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.0 t -126.26 136.87 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.615 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.9 128.16 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.09 -9.71 72.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.0 p -107.88 -8.98 15.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.615 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -71.15 157.89 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.407 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 20.4 p -133.08 6.82 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 pm0 -167.84 164.57 14.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.7 tp -155.63 152.64 28.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 tp -113.47 128.39 56.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.544 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 71.3 t -119.78 105.18 43.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.2 Cg_endo -75.03 -11.69 21.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -54.8 -109.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.902 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.1 mt 46.56 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.615 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.4 mt -149.35 -150.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.615 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -131.52 149.05 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.497 ' C ' HG13 ' A' ' 74' ' ' VAL . 7.1 m-20 62.34 41.18 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.497 HG13 ' C ' ' A' ' 73' ' ' ASP . 19.4 m -156.33 155.48 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -114.28 96.17 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.4 m-85 -81.76 125.47 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.8 mt-10 -90.12 -179.15 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 77.9 m-85 -162.68 146.98 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -151.26 128.94 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.784 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.82 133.5 47.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.758 HG22 ' HB3' ' A' ' 91' ' ' PRO . 0.8 OUTLIER -125.68 105.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -76.61 110.55 11.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.9 p90 -120.39 129.01 53.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -113.27 108.0 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.89 -112.9 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.158 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -26.34 53.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.808 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' ALA . 84.0 m-85 -78.22 134.28 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 83' ' ' PHE . 2.2 t -131.62 124.22 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 81' ' ' VAL . 7.0 p -91.26 167.92 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.7 m-20 -78.2 157.13 78.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.758 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 110.26 3.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 35.7 p -44.33 170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 92' ' ' SER . 9.9 p-10 -39.03 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -94.48 134.74 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -104.48 155.85 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -149.9 143.56 25.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.732 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.5 m -128.59 158.1 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 84' ' ' ALA . 45.5 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 m -88.93 145.35 34.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.99 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 179.35 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -149.43 168.7 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.28 71.71 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.6 tp -107.99 114.13 27.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.5 m -127.24 162.84 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 97' ' ' VAL . . . -131.04 109.37 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.6 p -98.05 100.95 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -66.53 127.57 32.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 22' ' ' GLY . 1.5 p -128.39 -177.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -10.48 21.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -112.23 -10.51 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 19' ' ' THR . . . 143.76 -171.69 25.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.047 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -105.5 114.43 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -83.52 110.96 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.011 HD23 HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -79.95 132.15 35.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.539 ' CE1' HG11 ' A' ' 17' ' ' VAL . 5.6 m170 -118.55 108.37 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 34.9 p90 -119.34 171.58 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.017 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.76 151.86 49.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.67 34.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.01 122.18 7.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.04 -12.71 60.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -117.84 83.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.765 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -117.68 151.76 48.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.765 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.97 -34.57 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' H ' HG23 ' A' ' 33' ' ' VAL . 6.5 mttt -162.58 -101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -111.75 146.91 36.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.886 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -79.08 124.01 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.41 -24.24 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.59 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.5 154.88 6.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.886 ' CE1' HD22 ' A' ' 37' ' ' LEU . 43.7 m-85 -96.95 178.26 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 81' ' ' VAL . 1.4 p -139.49 105.94 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD23 ' A' ' 25' ' ' LEU . 16.5 tp -78.73 125.09 28.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.3 mt-10 -127.86 116.91 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.84 -179.19 16.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 11.5 ptt180 174.47 152.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.731 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.773 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 70.8 m95 -63.48 101.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 54' ' ' LEU . 3.7 pt-20 -91.62 117.55 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' HD3' ' A' ' 56' ' ' PRO . 50.0 t -63.28 105.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD13 HG11 ' A' ' 67' ' ' VAL . 8.7 mt -68.74 -52.49 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -157.86 101.75 1.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.0 -19.91 17.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.82 96.0 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' A' ' 59' ' ' ALA . 92.7 t -126.56 120.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -27.21 137.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' LEU . . . -81.0 11.1 44.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.8 p -127.03 0.54 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.826 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.7 mm-40 -76.81 153.05 35.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.15 1.33 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.616 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -167.45 166.94 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.9 tp -161.67 153.12 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.7 tp -99.38 139.35 35.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.821 HG11 HD13 ' A' ' 54' ' ' LEU . 87.2 t -138.08 86.11 18.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.0 -21.33 15.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' PRO . . . -35.91 -43.31 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.047 HD12 HG11 ' A' ' 23' ' ' VAL . 2.5 mt -39.71 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -115.13 -153.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.639 ' H ' HG22 ' A' ' 71' ' ' ILE . 1.1 mtmt -128.2 136.94 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 1.4 t70 83.28 19.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.6 157.53 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -113.3 95.14 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.0 m-85 -84.02 136.49 34.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.0 mt-10 -95.15 179.0 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.934 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 66.4 m-85 -160.32 149.14 17.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 6.0 ptt180 -159.97 128.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -103.15 143.15 32.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -130.61 105.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -77.21 109.83 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 12.7 p90 -120.01 138.22 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -125.86 106.47 9.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 24.5 94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 86.96 -61.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' ALA . 96.8 m-85 -58.15 119.49 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.68 112.03 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 26.9 p -75.95 166.82 22.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.11 155.68 90.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -74.99 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' PRO . 22.0 p -39.56 164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' SER . 7.6 p-10 -37.1 155.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -83.86 136.27 34.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -108.48 125.64 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.512 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -112.43 147.94 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.678 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.32 147.33 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 33' ' ' VAL . 58.1 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -84.5 140.25 38.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 174.41 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.82 17.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -145.79 171.0 15.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 45.5 65.23 2.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 11.0 tp -104.57 115.93 31.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.8 m -131.61 149.57 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . . . -111.48 117.97 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 26' ' ' HIS . 4.1 p -106.96 108.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -66.69 123.48 20.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.425 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.4 p -125.77 169.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -113.34 -13.12 12.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.28 -147.01 16.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.022 HG21 HD12 ' A' ' 70' ' ' LEU . 5.8 t -125.12 118.46 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -96.56 123.64 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.805 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.31 109.17 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.509 ' CE1' HG11 ' A' ' 17' ' ' VAL . 4.3 m170 -92.28 109.03 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.5 p90 -118.01 177.4 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 108.047 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.93 147.96 45.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.15 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.62 -48.76 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.4 mt -77.09 113.75 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -139.05 142.42 33.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.01 -14.39 21.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.8 -88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -135.14 173.46 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.79 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -34.33 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.576 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 157.26 156.08 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.585 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 72.5 m-85 -103.32 176.86 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 0.715 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.85 104.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 67' ' ' VAL . 2.5 tm? -90.02 116.46 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -111.22 170.44 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.54 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -167.77 176.43 42.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 3.2 ptt180 178.23 147.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.629 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 10.9 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -60.59 124.41 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.0 pt-20 -109.64 127.3 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.3 102.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.941 HD13 HG11 ' A' ' 67' ' ' VAL . 28.8 mt -71.47 -48.37 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.655 ' OD2' HD11 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -145.89 102.99 4.17 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.95 -44.99 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 59' ' ' ALA . 34.8 t -127.22 122.68 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -33.34 139.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.64 17.3 35.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -129.34 3.61 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.846 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.1 mm-40 -88.4 162.99 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -132.36 4.01 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.805 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.42 164.81 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.655 HD11 ' OD2' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.42 138.45 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' H ' HD22 ' A' ' 65' ' ' LEU . 3.6 tp -92.85 129.31 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.941 HG11 HD13 ' A' ' 54' ' ' LEU . 79.3 t -131.36 83.28 59.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.09 21.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.572 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -72.62 54.13 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.022 HD12 HG21 ' A' ' 23' ' ' VAL . 2.4 mt -114.71 159.2 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.1 mm -113.97 162.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -98.63 158.73 15.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 67.17 9.65 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.758 HG21 ' HB ' ' A' ' 71' ' ' ILE . 16.5 m -127.38 173.94 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.26 94.16 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.2 m-85 -81.84 125.94 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.53 -178.97 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.86 ' CE2' HG11 ' A' ' 23' ' ' VAL . 54.5 m-85 -157.88 157.13 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -167.54 127.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.7 tp -100.62 149.95 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 89' ' ' SER . 38.5 t -140.28 104.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.57 136.52 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.8 p90 -143.98 134.69 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -122.34 107.17 11.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.56 -116.39 9.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.55 17.0 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.6 m-85 -112.39 130.53 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.16 125.48 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.841 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -88.49 161.04 17.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.5 m-20 -68.54 155.55 92.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.683 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 93' ' ' ASN . 28.6 p -43.48 172.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -43.12 171.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.474 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -106.43 129.77 54.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -125.74 151.04 47.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.666 ' CG ' HD11 ' A' ' 75' ' ' LEU . 17.1 p30 -150.96 168.41 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 m -123.39 165.78 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 67.2 p -82.05 141.54 47.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ASP . 2.0 mtt180 -158.98 171.7 19.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 59.52 13.95 25.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 93' ' ' ASN . 17.5 tp -58.49 101.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' A' ' 26' ' ' HIS . 7.3 p -123.1 150.11 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . . . -110.61 147.43 34.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.81 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -141.72 103.04 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 130.08 42.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.46 175.95 3.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.28 9.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -115.77 -16.77 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.73 -153.16 25.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 78' ' ' PHE . 4.2 t -113.45 123.24 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . 4.8 tp -97.84 102.43 14.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -80.68 109.43 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.81 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.7 m170 -96.07 109.22 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -116.89 177.78 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 108.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -122.58 150.81 58.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.73 28.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 111.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.2 tp10 -65.47 -20.71 66.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.1 mp -105.56 92.15 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -120.57 143.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.694 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -15.32 20.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -171.56 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -131.02 170.13 14.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -95.12 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -36.04 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.543 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 157.38 155.83 7.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 84.9 m-85 -102.73 177.03 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.74 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -135.83 106.54 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -89.62 110.77 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.5 mt-10 -112.88 128.96 56.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -129.64 -179.63 16.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.152 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 17.1 ptt180 -179.23 146.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.862 ' NE2' HG21 ' A' ' 74' ' ' VAL . 4.4 pt20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 95.2 m95 -57.06 105.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 3.7 pt-20 -101.01 102.2 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.7 t -41.31 102.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 42' ' ' LEU . 72.7 mt -67.86 -35.62 78.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.5 ' OD2' HG22 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -157.47 106.64 1.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.07 108.77 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' OD2' ' A' ' 55' ' ' ASP . 94.5 t -125.83 127.92 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.05 128.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.44 -4.78 58.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.6 p -111.71 -3.42 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 mm-40 -78.53 140.57 38.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -113.13 2.23 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.632 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -166.37 163.4 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.0 tp -155.42 151.74 28.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 24.9 tp -91.01 148.02 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 54' ' ' LEU . 2.8 t -142.0 82.51 13.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.78 20.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' LEU . . . -49.27 -55.2 13.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -39.11 158.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.68 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -128.62 -172.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -102.37 172.45 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.06 14.12 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.862 HG21 ' NE2' ' A' ' 46' ' ' GLN . 17.1 m -136.56 165.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -124.99 93.1 3.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.906 ' CD1' HD12 ' A' ' 70' ' ' LEU . 1.3 m-85 -83.57 146.09 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 13.0 mt-10 -104.22 -176.84 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.766 ' HE2' HG13 ' A' ' 97' ' ' VAL . 59.6 m-85 -160.11 156.24 26.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.531 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 6.0 ptt180 -166.81 124.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.791 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.1 tp -102.04 136.84 41.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.989 HG13 ' O ' ' A' ' 89' ' ' SER . 33.4 t -128.55 102.29 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.8 129.01 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.2 p90 -136.21 135.77 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -118.71 104.78 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.26 89.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.4 t 90.07 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 85.5 m-85 -57.88 124.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.72 131.0 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.989 ' O ' HG13 ' A' ' 81' ' ' VAL . 24.6 p -96.51 161.06 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 18.7 m-20 -68.48 156.93 89.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.95 101.89 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' PRO . 63.3 p -39.05 163.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.044 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.811 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -33.84 145.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.77 131.06 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -115.63 144.79 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 7.4 p30 -150.91 151.94 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.766 HG13 ' HE2' ' A' ' 78' ' ' PHE . 2.3 m -111.64 167.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD13 ' HD2' ' A' ' 34' ' ' PRO . 39.7 tp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 60.5 p -88.69 138.16 29.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.98 175.87 10.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 8.6 mtt180 -149.64 166.94 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.68 51.47 54.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.52 105.23 17.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -120.14 169.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -141.03 122.09 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -124.04 110.49 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' NH2' ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -72.5 148.09 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -151.16 -174.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -8.69 20.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.925 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.43 17.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 114.02 -148.83 18.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.098 HG13 HG23 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -123.85 127.12 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 26' ' ' HIS . 1.8 tp -93.13 111.46 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.771 HD21 ' CD2' ' A' ' 78' ' ' PHE . 9.0 mt -94.08 113.49 25.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.2 m170 -98.52 128.92 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 16.6 p90 -136.02 170.08 16.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -115.32 149.97 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.07 149.85 36.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 118.35 5.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.79 -19.61 51.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.2 mt -113.47 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.34 151.59 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.3 mmtt -142.19 -111.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -118.36 151.63 37.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 106.4 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -35.23 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.612 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.25 151.33 6.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.588 1.18 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 62' ' ' GLU . 54.6 m-85 -96.89 177.85 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.505 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.6 t -136.28 107.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.781 HD22 HD23 ' A' ' 65' ' ' LEU . 51.2 tp -85.45 118.93 25.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -122.7 128.71 50.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.649 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -130.91 -179.75 16.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 13.1 ptt180 178.78 146.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.9 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -62.45 137.86 58.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 54' ' ' LEU . 1.9 mt-10 -123.31 124.72 43.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 56' ' ' PRO . 40.1 t -63.59 92.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.649 HD11 ' HA3' ' A' ' 44' ' ' GLY . 8.8 mt -64.72 -37.57 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.4 t0 -157.92 102.81 1.76 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HB3' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.35 108.21 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' OE2' ' A' ' 62' ' ' GLU . 53.3 t -127.06 130.6 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' CG ' ' A' ' 62' ' ' GLU . . . -34.26 150.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.27 -0.54 65.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -122.46 31.93 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.602 ' OE1' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -106.77 167.24 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -140.04 10.71 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.635 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 pt-20 -178.93 166.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD23 HD22 ' A' ' 42' ' ' LEU . 5.6 tp -159.38 154.31 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.925 HD21 ' O ' ' A' ' 21' ' ' ARG . 14.5 tp -91.66 147.27 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.098 HG23 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.8 66.48 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.37 19.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -64.71 -17.82 63.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -44.98 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 0.786 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -117.29 170.51 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -100.21 144.69 28.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HG13 ' A' ' 74' ' ' VAL . 1.8 t0 69.95 36.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 71' ' ' ILE . 15.0 m -153.95 163.06 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -120.9 96.05 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.939 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -83.57 137.46 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 mt-10 -92.81 -177.85 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HD21 ' A' ' 25' ' ' LEU . 44.6 m-85 -158.82 144.29 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.6 ptt180 -155.63 122.29 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.39 136.58 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -135.65 107.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.4 143.62 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.66 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 8.3 p90 -145.26 133.51 21.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -123.03 145.32 48.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.93 -125.85 1.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.59 30.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.0 m-85 -119.77 159.77 23.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.02 126.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.0 p -91.64 157.91 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -69.38 154.9 94.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.94 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' ASN . 63.7 p -42.95 167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 12.0 p-10 -37.36 155.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 49.6 m -91.55 144.68 25.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -117.31 160.17 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.57 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -150.62 156.61 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -142.44 166.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' HD2' ' A' ' 34' ' ' PRO . 56.2 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 57.3 p -86.47 140.96 34.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.03 173.45 14.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -148.88 175.35 11.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.6 43.59 53.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -86.07 118.96 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -138.73 169.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -139.98 113.96 8.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.691 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -109.7 108.98 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.51 ' C ' ' CG2' ' A' ' 19' ' ' THR . 3.8 tmm_? -66.9 145.9 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.558 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -155.57 -174.64 0.44 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -38.8 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.809 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.43 -1.44 53.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' THR . . . 123.05 173.03 13.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.009 HG13 HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.88 122.22 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -90.75 110.23 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 78' ' ' PHE . 5.3 mt -87.65 124.94 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.691 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.8 m170 -112.87 125.65 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.683 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -131.97 177.46 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -124.18 150.89 64.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.82 37.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.93 121.54 6.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -100.48 89.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -122.96 149.39 56.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' H ' HG23 ' A' ' 33' ' ' VAL . 8.8 mtpp -151.17 -107.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -116.94 152.22 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.72 103.93 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -36.72 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.639 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.36 151.74 5.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.73 ' OH ' HD23 ' A' ' 37' ' ' LEU . 70.2 m-85 -96.47 174.89 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -136.92 106.92 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 54' ' ' LEU . 1.1 tm? -81.12 115.56 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -119.31 123.24 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.87 165.29 18.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLU . 35.8 ptt180 -166.09 156.67 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.611 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -49.82 110.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.57 130.14 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.82 95.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -65.84 -51.2 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 1.3 t70 -161.16 103.47 1.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.97 -29.19 8.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.24 102.14 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 64.7 t -126.67 121.7 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.885 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -36.86 138.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.73 11.16 54.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -119.33 -1.77 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.885 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.5 mm-40 -84.16 161.27 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.98 8.43 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.6 pm0 -169.48 167.12 10.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.9 tp -153.59 154.55 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.809 HD21 ' O ' ' A' ' 21' ' ' ARG . 12.4 tp -99.91 140.9 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.009 HG23 HG13 ' A' ' 23' ' ' VAL . 2.7 m -142.44 66.52 19.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -7.01 18.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -65.3 -19.12 66.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -41.24 161.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.666 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -109.25 170.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.532 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -106.17 140.43 39.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 82.18 23.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.666 HG21 ' HB ' ' A' ' 71' ' ' ILE . 35.3 m -142.8 171.31 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -124.72 94.88 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -81.87 134.88 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.0 mt-10 -95.52 -179.56 4.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.695 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 41.7 m-85 -158.87 138.86 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 4.0 ptt180 -147.4 126.51 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.3 tp -102.71 135.81 43.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -124.44 111.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -84.79 110.54 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.639 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 15.8 p90 -120.72 134.15 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -116.37 104.29 11.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.5 91.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.7 OUTLIER 90.41 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.051 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 3.7 m-30 -57.98 127.11 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.96 107.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 81' ' ' VAL . 33.0 p -75.07 167.52 21.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -72.07 153.83 92.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.4 p -40.08 163.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.6 p-10 -37.36 155.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.5 m -88.09 142.45 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -127.55 149.97 49.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.658 ' HB2' HD12 ' A' ' 75' ' ' LEU . 45.2 p30 -151.0 166.92 29.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -143.06 134.0 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -69.42 142.39 92.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.5 Cg_endo -74.91 168.8 24.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.07 177.81 8.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.3 mtt180 -157.94 -178.58 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 54.04 18.5 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 93' ' ' ASN . 36.2 tp -63.88 103.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 26' ' ' HIS . 9.3 p -125.88 166.13 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -120.86 166.6 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -154.9 92.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG3' HG21 ' A' ' 97' ' ' VAL . 3.4 ttt85 -66.52 97.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.563 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -100.81 -173.68 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -8.06 59.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 144.67 -172.64 25.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.046 HG11 HD12 ' A' ' 70' ' ' LEU . 1.7 m -101.33 114.15 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -81.84 151.35 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 42' ' ' LEU . 20.2 mt -125.58 122.12 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.596 ' HB2' HG12 ' A' ' 15' ' ' VAL . 2.2 m-70 -111.34 119.5 39.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.698 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 33.5 p90 -124.19 173.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -116.82 147.23 39.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.83 25.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -49.69 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.1 mt -76.54 115.73 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -138.86 142.59 34.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.63 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -12.53 21.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -177.17 -86.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -133.56 173.59 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.42 115.25 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.603 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 150.92 149.11 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 49.8 m-85 -97.97 176.16 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.47 104.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.698 ' CD1' HD12 ' A' ' 54' ' ' LEU . 3.1 tm? -87.42 118.66 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt-10 -115.57 170.7 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.548 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -165.24 168.52 39.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 178.89 146.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 7.1 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -53.98 118.89 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -107.81 102.2 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.52 105.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.698 HD12 ' CD1' ' A' ' 42' ' ' LEU . 16.2 mt -75.09 -43.75 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -147.01 107.4 3.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.37 111.37 23.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.1 t -125.81 130.9 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.81 132.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.86 -7.84 71.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 p -109.85 -13.11 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.648 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.2 mm-40 -63.64 143.69 57.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.96 8.32 11.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.607 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -169.73 173.11 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp -165.61 152.03 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.6 tp -97.65 143.71 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.826 HG11 ' HE1' ' A' ' 78' ' ' PHE . 49.5 t -143.12 78.33 15.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.66 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.902 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -71.45 50.49 1.05 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HG11 ' A' ' 23' ' ' VAL . 12.9 mt -126.14 160.7 29.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.656 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -118.69 -169.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.656 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -115.42 151.03 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 4.9 t70 82.03 -4.63 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.84 167.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.15 95.31 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.872 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -82.23 134.51 35.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 6.3 mt-10 -99.37 -176.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.826 ' HE1' HG11 ' A' ' 67' ' ' VAL . 75.9 m-85 -162.63 149.35 13.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -154.37 129.89 9.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.698 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.1 tp -103.33 138.78 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 89' ' ' SER . 98.6 t -132.16 101.37 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.86 136.68 41.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.2 p90 -143.06 139.52 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.16 121.22 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.34 -94.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 m -118.12 15.58 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 14.5 m-85 -105.02 132.28 51.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.64 129.56 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.917 ' O ' HG13 ' A' ' 81' ' ' VAL . 42.6 p -94.62 164.87 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -70.44 153.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.0 Cg_endo -75.03 102.2 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.468 ' OG ' HD22 ' A' ' 14' ' ' LEU . 69.0 p -39.51 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -35.67 149.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.32 128.85 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.42 140.73 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.562 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.4 p30 -146.28 166.69 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.741 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -124.3 158.62 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 84' ' ' ALA . 50.1 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -84.59 154.48 62.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.06 165.46 31.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ASP . 7.4 mtt180 -149.8 173.73 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 49.09 51.7 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.89 117.6 29.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.76 168.9 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.595 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -145.9 119.11 8.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 24' ' ' LEU . 1.2 p -119.66 104.94 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -66.64 140.34 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -141.83 -178.28 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 1.3 7.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -130.3 19.1 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 119.17 -142.52 16.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.731 ' CG1' HD21 ' A' ' 70' ' ' LEU . 1.3 p -134.77 127.1 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.612 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -87.92 102.06 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD23 ' CB ' ' A' ' 16' ' ' ALA . 3.0 mt -89.6 125.52 35.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -116.52 122.01 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.642 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 47.3 p90 -127.47 175.64 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -117.93 147.75 41.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.02 28.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.56 -27.33 62.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.3 mt -96.13 107.01 19.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.1 t -129.53 142.36 45.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.629 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.93 -16.36 20.43 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.563 1.823 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 3.4 tttt 175.91 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' LYS . 13.8 tpt180 -122.36 144.92 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.43 130.39 35.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 4.8 t0 -86.83 -28.24 23.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.45 169.72 12.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 56.5 m-85 -109.88 176.62 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.693 HG23 ' CE2' ' A' ' 83' ' ' PHE . 53.9 t -132.43 106.2 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.726 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -80.86 111.53 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.636 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -114.0 118.71 34.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.14 15.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 22.8 ptt180 179.2 153.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 3.3 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 39.7 m95 -49.25 120.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 43' ' ' GLU . 1.1 pt-20 -116.94 136.67 52.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.7 m -84.69 108.76 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 67' ' ' VAL . 55.5 mt -68.41 -36.35 78.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 8.5 t0 -153.0 108.16 2.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.78 9.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.4 104.87 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ALA . 80.7 t -124.88 129.12 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -38.27 131.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.04 -2.01 57.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.6 p -110.68 -27.56 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.627 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 2.4 mm-40 -50.09 150.66 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -126.49 -2.92 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 39.8 mp0 -150.74 167.84 26.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.509 ' CD2' HD12 ' A' ' 42' ' ' LEU . 8.8 tp -157.31 144.54 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.6 126.87 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.815 HG12 ' CD1' ' A' ' 70' ' ' LEU . 76.7 t -117.72 101.48 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.1 Cg_endo -74.99 -11.23 21.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -56.39 -110.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.815 ' CD1' HG12 ' A' ' 67' ' ' VAL . 1.4 mp 45.62 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -146.51 -149.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.589 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -134.9 138.37 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.488 ' C ' HG13 ' A' ' 74' ' ' VAL . 3.7 t0 75.85 36.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ASP . 20.6 m -155.71 151.34 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -103.31 96.86 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.652 ' CE1' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -81.53 124.15 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.3 mt-10 -91.06 179.73 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 23' ' ' VAL . 89.4 m-85 -164.22 134.63 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 9.5 ptt180 -138.65 130.86 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.7 tp -102.46 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 89' ' ' SER . 71.6 t -133.62 102.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.89 128.23 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.693 ' CE2' HG23 ' A' ' 41' ' ' VAL . 31.6 p90 -130.51 144.69 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -127.59 104.91 8.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 29.01 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER 86.16 -59.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -57.96 127.61 32.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -124.15 118.74 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.892 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.4 p -76.26 166.88 22.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 54.7 m-20 -72.89 155.67 90.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.624 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.02 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 11' ' ' PRO . 16.7 p -45.02 167.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 14' ' ' LEU . 6.8 p-10 -38.44 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -88.1 130.98 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -102.23 147.26 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.721 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.7 p30 -142.23 141.48 32.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.756 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -127.13 154.63 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HD2' ' A' ' 34' ' ' PRO . 42.9 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -84.42 137.6 39.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -145.0 169.44 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.57 41.91 82.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.3 OUTLIER -84.29 109.01 17.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.0 m -129.6 168.2 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.9 109.1 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.545 HG11 ' CE1' ' A' ' 26' ' ' HIS . 3.8 p -101.46 116.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.48 121.55 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.456 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.6 p -118.66 165.89 15.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -117.62 -9.62 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.0 -138.8 6.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.843 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.7 t -129.16 115.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.597 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -89.8 114.51 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -92.72 111.61 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.597 ' NE2' ' HB3' ' A' ' 24' ' ' LEU . 6.3 m170 -97.85 125.48 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.554 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.2 p90 -135.67 177.48 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -123.03 154.02 64.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.45 35.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 124.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.12 -36.15 48.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -98.66 90.28 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.596 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.97 148.95 58.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.04 -33.43 4.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 33' ' ' VAL . 2.5 mttm -149.23 -106.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -124.9 151.13 45.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 102.63 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 5.9 t70 -62.62 -36.24 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 163.2 151.51 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.621 ' OH ' HD23 ' A' ' 37' ' ' LEU . 93.0 m-85 -96.86 174.76 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.812 HG12 ' OE1' ' A' ' 43' ' ' GLU . 72.6 t -137.29 106.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.023 HD12 ' HB2' ' A' ' 54' ' ' LEU . 3.4 tm? -83.17 129.46 35.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.812 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.31 122.46 26.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -127.56 177.18 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 5.3 ptt180 177.72 146.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.2 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.451 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 59.9 m95 -56.29 130.01 42.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' C ' ' HG3' ' A' ' 43' ' ' GLU . 5.1 pt-20 -131.9 137.12 47.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.5 m -79.38 113.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.023 ' HB2' HD12 ' A' ' 42' ' ' LEU . 11.6 mt -76.33 -20.48 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' A' ' 58' ' ' VAL . 16.1 t0 -165.63 105.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.02 -43.62 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.69 108.35 19.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG22 ' OD2' ' A' ' 55' ' ' ASP . 40.3 t -126.73 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.27 124.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -5.66 44.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.8 p -105.21 -9.57 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.383 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.43 156.38 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -133.61 5.03 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.1 mp0 -152.01 167.29 28.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.671 HD23 ' HG ' ' A' ' 42' ' ' LEU . 9.4 tp -162.7 152.76 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -110.27 143.8 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 54' ' ' LEU . 57.8 t -137.29 85.32 21.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.93 13.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -41.77 -35.88 1.59 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 67' ' ' VAL . 6.0 mp -39.0 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 72' ' ' LYS . 2.4 mm -103.67 -124.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -135.99 -91.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.539 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -66.2 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.3 m -158.05 164.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -121.25 92.45 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.1 m-85 -83.95 130.93 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 8.3 mt-10 -93.36 -176.85 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CE2' HG11 ' A' ' 23' ' ' VAL . 75.5 m-85 -160.09 147.85 16.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 11.2 ptt180 -159.78 124.85 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.914 HD13 HD23 ' A' ' 42' ' ' LEU . 3.3 tp -101.01 142.02 33.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 89' ' ' SER . 62.1 t -131.73 103.92 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.13 126.31 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -132.28 135.54 46.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 157.4 34.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 32.46 -96.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -126.66 22.65 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.958 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-85 -110.95 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.06 116.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.935 ' O ' HG13 ' A' ' 81' ' ' VAL . 12.9 p -79.79 163.6 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 48.5 m-20 -70.52 156.38 92.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.632 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' ASN . 34.0 p -40.62 163.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.7 p-10 -36.52 151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -89.21 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -128.9 150.98 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.3 p30 -151.14 167.75 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.69 158.67 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 45.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -85.45 150.62 54.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.451 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -152.54 -177.45 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.51 41.16 6.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 27' ' ' TRP . 66.5 tp -88.23 122.2 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.3 m -142.53 168.11 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.84 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -133.45 113.02 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.812 HG11 ' CE1' ' A' ' 26' ' ' HIS . 2.2 p -103.31 111.4 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.53 124.74 24.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.82 177.02 2.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.469 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.03 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -73.83 -7.84 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.94 -136.85 7.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.97 HG21 HD23 ' A' ' 70' ' ' LEU . 8.5 t -127.91 127.6 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -104.59 121.06 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.748 ' CD1' HD21 ' A' ' 42' ' ' LEU . 6.5 mt -100.53 127.01 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.812 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.7 m170 -113.33 116.3 29.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.725 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.2 p90 -124.0 177.63 5.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -124.05 147.57 54.65 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 149.58 36.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.94 140.78 26.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.762 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -47.61 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 32' ' ' LEU . 3.3 mt -84.41 115.01 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.5 t -132.85 144.12 51.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.733 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -15.71 20.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.48 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.65 138.18 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -70.58 131.4 43.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -86.92 -26.66 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.42 156.35 7.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' HD22 ' A' ' 37' ' ' LEU . 23.9 m-85 -98.2 177.94 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 81' ' ' VAL . 1.1 p -133.75 111.36 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD21 ' CD1' ' A' ' 25' ' ' LEU . 18.0 tp -80.26 120.76 24.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -124.81 111.27 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.7 177.5 18.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 30.0 ptt180 -178.57 153.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 63.1 m95 -65.91 111.06 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 54' ' ' LEU . 13.4 pt-20 -101.19 130.3 47.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.26 100.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HG ' ' A' ' 42' ' ' LEU . 59.7 mt -68.42 -49.82 57.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.89 105.35 0.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.99 -19.83 17.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.407 1.74 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.05 98.22 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 44.6 t -125.76 130.32 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.33 124.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -7.99 46.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.2 p -107.88 -18.47 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.698 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 2.3 mm-40 -57.67 160.18 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 p -136.97 9.62 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -170.89 172.18 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.741 HD23 ' CD2' ' A' ' 42' ' ' LEU . 9.6 tp -166.28 155.02 10.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 13.6 tp -93.8 139.61 30.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -134.62 65.25 66.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.0 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -7.02 86.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.63 159.88 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.654 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.1 mm -103.96 171.6 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -108.57 142.68 38.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 2.2 t70 82.68 18.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.654 HG21 ' HB ' ' A' ' 71' ' ' ILE . 18.4 m -138.42 179.5 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.031 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -125.55 94.79 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.4 m-85 -81.97 120.27 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 5.0 mt-10 -88.76 179.89 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.628 ' HZ ' HD21 ' A' ' 70' ' ' LEU . 93.5 m-85 -161.77 157.35 24.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.3 ptt180 -162.44 126.51 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.725 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -100.86 141.74 33.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -129.53 105.98 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.51 111.07 9.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 11.6 p90 -124.57 138.77 54.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -131.27 119.95 22.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.05 -98.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -111.07 0.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.954 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' ALA . 39.1 m-85 -93.35 118.56 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.01 110.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.4 p -76.96 166.85 22.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 46.1 m-20 -73.04 154.11 90.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -75.05 110.71 3.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.9 p -43.65 173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -44.46 173.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 1.5 m -103.6 127.83 50.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.2 124.06 47.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 1.031 ' HB2' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -107.53 146.61 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.863 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -117.91 143.44 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.83 87.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 35.52 4.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.56 -164.09 14.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.86 103.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -143.44 158.23 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.36 56.66 0.47 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 22.2 tp -125.19 115.99 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -81.63 145.59 54.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 171.43 18.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 176.6 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.9 mtt180 -151.28 173.7 14.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.97 42.44 54.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.18 115.46 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 26' ' ' HIS . 2.7 m -133.94 167.36 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -136.23 119.46 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 24' ' ' LEU . 3.9 p -111.44 110.12 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -66.91 125.39 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.64 174.57 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.22 3.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -80.73 -12.53 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.25 -141.9 8.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.083 HG21 HD12 ' A' ' 70' ' ' LEU . 35.4 t -128.88 119.93 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -93.65 134.74 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.774 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.6 mt -116.89 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 13' ' ' GLY . 2.4 m170 -115.14 126.38 54.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 25.8 p90 -135.34 177.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -121.34 147.77 48.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HG2' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 107.75 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -32.47 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -90.63 110.23 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.725 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -135.42 143.76 46.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -15.31 20.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 10.9 ttpt 177.94 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 17.7 ttm180 -125.76 146.12 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 ' HA2' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -81.79 134.75 35.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -31.65 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 145.64 157.18 7.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 46.5 m-85 -97.37 179.33 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -137.36 113.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 25' ' ' LEU . 30.1 tp -84.95 119.31 25.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 2.4 mt-10 -123.68 115.4 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.33 -179.02 15.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CZ ' ' CE2' ' A' ' 51' ' ' TRP . 28.0 ptt180 177.44 154.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.74 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 35.4 mt-30 -83.9 131.58 34.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 37.22 -102.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 p -119.04 47.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -91.11 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.94 129.72 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CE2' ' CZ ' ' A' ' 45' ' ' ARG . 60.9 m95 -57.99 105.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.71 129.05 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG12 ' HD3' ' A' ' 56' ' ' PRO . 44.6 t -75.09 99.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.68 HD13 HG11 ' A' ' 67' ' ' VAL . 49.7 mt -64.48 -45.84 85.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.75 103.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.97 -20.88 16.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.55 97.69 7.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ALA . 93.3 t -126.18 130.15 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.22 131.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.559 ' HA2' HD22 ' A' ' 37' ' ' LEU . . . -74.1 -1.0 58.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.2 p -114.59 -19.67 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -57.52 149.14 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 p -121.04 4.91 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.79 173.09 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.726 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.7 tp -165.43 153.07 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.2 tp -100.27 139.69 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 54' ' ' LEU . 54.2 t -140.41 82.79 15.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.03 18.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.565 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.5 50.3 2.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 23' ' ' VAL . 3.1 mt -112.81 159.14 19.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.788 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.6 mm -111.42 152.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 160.28 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.83 9.74 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.788 HG21 ' HB ' ' A' ' 71' ' ' ILE . 31.4 m -131.99 174.63 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -127.35 98.34 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -80.42 131.24 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.7 mt-10 -91.49 -178.2 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.923 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 72.0 m-85 -161.76 154.75 20.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 14.5 ptt180 -163.37 122.59 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -104.85 132.32 51.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -131.37 107.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -72.75 147.53 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.712 ' CB ' HG12 ' A' ' 88' ' ' VAL . 16.8 p90 -150.89 141.64 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -117.66 107.7 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.04 -113.03 1.26 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.86 58.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 0.804 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -84.32 148.47 26.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.2 m -140.53 161.54 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.0 p -124.16 160.24 28.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 4.2 m-20 -69.26 154.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.549 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.98 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.763 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 80' ' ' LEU . 53.0 p -41.22 165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -37.08 154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 12.7 m -80.84 138.87 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -110.24 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.443 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -114.48 145.16 42.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -120.15 147.87 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -111.09 149.49 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.65 63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -112.97 -30.67 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.74 6.34 5.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.52 158.86 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.729 ' HB3' HD22 ' A' ' 102' ' ' LEU . 1.9 t 44.67 72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.85 -171.85 39.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.29 24.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.34 137.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -121.15 91.42 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -121.71 95.4 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.3 160.51 28.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -111.5 154.28 24.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -106.99 140.31 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.73 11.81 3.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 83' ' ' PHE . 57.4 tp -104.99 119.91 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -80.29 148.6 67.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.96 169.44 22.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.96 176.3 10.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.84 179.89 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.33 50.17 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.9 tp -94.56 127.39 40.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.9 m -144.53 167.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.567 HG11 ' NE2' ' A' ' 26' ' ' HIS . 1.5 p -107.74 117.02 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.84 135.9 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -134.23 178.53 1.72 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.03 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -9.15 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 145.91 -144.85 13.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' VAL . 42.2 t -117.66 139.87 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.797 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.579 ' HB3' ' HE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -115.64 127.71 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 78' ' ' PHE . 7.2 mt -108.74 127.18 53.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.579 ' HE1' ' HB3' ' A' ' 24' ' ' LEU . 1.2 m-70 -113.54 113.06 24.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.794 ' HB3' HD13 ' A' ' 14' ' ' LEU . 30.8 p90 -120.14 177.39 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -123.51 147.42 52.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.93 36.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 128.09 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.75 -36.74 70.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 32' ' ' LEU . 5.8 mt -93.42 111.72 23.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -129.12 142.35 44.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.97 -15.04 21.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt 174.2 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.71 150.3 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -88.54 133.21 34.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.0 -30.35 16.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 147.67 165.6 12.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.577 1.173 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.666 ' CE1' HD22 ' A' ' 37' ' ' LEU . 31.3 m-85 -106.88 177.79 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.691 HG23 ' CE2' ' A' ' 83' ' ' PHE . 79.3 t -131.14 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -87.98 114.68 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.549 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mt-10 -119.25 128.37 54.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.68 178.96 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 18.3 ptt180 176.16 153.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 4.6 mt-30 -89.57 149.49 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 35.49 -102.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.19 33.63 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -172.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.27 141.27 20.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.422 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 96.5 m95 -65.38 105.2 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.8 pt-20 -95.09 107.0 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.01 104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' A' ' 42' ' ' LEU . 66.5 mt -75.66 -45.56 36.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.13 106.03 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -43.09 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 107.65 19.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.5 t -126.34 129.44 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -36.63 131.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -3.44 55.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.9 p -114.21 -25.29 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 2.8 mm-40 -50.9 141.16 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -115.74 7.58 14.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -169.88 172.16 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -162.79 152.43 15.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 23' ' ' VAL . 16.8 tp -91.69 141.68 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.988 HG23 ' HB ' ' A' ' 23' ' ' VAL . 2.9 m -139.13 70.85 41.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.98 20.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.12 -23.9 60.19 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.977 HD12 HG21 ' A' ' 23' ' ' VAL . 2.5 mt -47.95 174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.2 mt -141.38 -172.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -110.79 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.74 19.58 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.29 165.39 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -125.22 97.32 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.701 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 4.0 m-85 -83.28 139.47 33.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.6 mt-10 -102.27 -176.6 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.83 ' CD2' HD21 ' A' ' 25' ' ' LEU . 46.0 m-85 -159.54 155.68 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 5.7 ptt180 -164.24 122.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.769 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -103.32 139.19 39.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.09 110.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.07 146.63 45.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.8 p90 -152.39 133.53 14.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -117.23 106.62 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 25.09 93.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 m 90.94 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 78.1 m-85 -58.75 123.08 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.41 111.77 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.4 p -78.05 161.27 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 37.5 m-20 -69.28 154.65 94.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.04 110.06 3.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' PRO . 41.5 p -43.28 169.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.473 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 p-10 -39.16 160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -90.63 132.75 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -122.46 144.51 49.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.13 165.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.57 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -126.66 164.96 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -111.04 156.95 20.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -160.24 73.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -113.99 -25.34 8.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.92 36.25 4.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.73 162.61 19.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 t -48.53 -42.85 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.59 -155.23 49.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.71 4.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 t -132.59 158.9 41.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.92 126.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 -57.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.8 33.93 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.51 139.19 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.96 135.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.14 -81.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.13 -32.39 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' A' ' 34' ' ' PRO . 49.0 tp -112.85 114.51 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -82.27 146.59 54.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.04 170.79 19.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.6 mtt180 -154.51 -177.88 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.75 47.46 7.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.0 tp -92.31 127.64 37.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.3 167.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -136.05 122.88 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.3 p -115.64 114.52 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -72.42 123.68 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.44 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -126.24 178.91 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -38.83 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -75.37 -12.28 60.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.15 -138.18 6.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.995 HG21 HD12 ' A' ' 70' ' ' LEU . 91.4 t -131.21 121.59 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -96.85 131.88 43.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HD21 ' A' ' 42' ' ' LEU . 9.9 mt -111.47 131.17 55.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.27 113.54 23.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.553 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.702 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 32.5 p90 -120.35 177.44 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.4 m-20 -120.85 149.79 51.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.0 153.87 42.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 120.99 6.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.65 -27.53 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.2 mt -112.62 102.34 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -131.4 153.93 81.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.02 -38.07 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' H ' HG23 ' A' ' 33' ' ' VAL . 29.6 tttt -148.54 -106.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 39.2 ptt180 -119.06 151.44 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.56 115.19 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.92 -34.44 57.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.587 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.73 153.96 7.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.9 m-85 -100.55 176.87 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' HG13 ' A' ' 81' ' ' VAL . 72.3 t -129.5 106.6 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 65' ' ' LEU . 1.9 tp -84.63 116.26 23.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -120.76 120.58 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -123.1 175.59 16.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.8 ptt180 177.48 150.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.5 pt20 -124.67 169.57 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 30.25 39.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' GLN . 4.0 m 78.98 -56.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.042 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER 25.36 -144.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . -124.18 127.02 6.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 44.3 m95 -41.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.1 pt-20 -107.38 117.49 34.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.33 118.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 67' ' ' VAL . 52.9 mt -83.79 -36.67 23.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -156.95 106.74 1.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 107.19 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ALA . 77.0 t -125.74 132.1 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.96 125.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.49 -5.88 56.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.9 p -112.74 1.55 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.586 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -79.99 159.57 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -133.32 7.4 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.14 171.38 9.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 42' ' ' LEU . 12.4 tp -166.45 153.94 9.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -98.88 135.23 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 54' ' ' LEU . 71.3 t -131.73 83.68 56.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.65 49.89 2.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.995 HD12 HG21 ' A' ' 23' ' ' VAL . 2.8 mt -113.46 159.39 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.737 ' HB ' HG21 ' A' ' 74' ' ' VAL . 3.7 mm -116.72 169.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -102.33 152.36 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.04 17.18 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.737 HG21 ' HB ' ' A' ' 71' ' ' ILE . 11.9 m -132.1 169.07 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -123.87 94.8 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.64 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.6 m-85 -81.67 126.76 32.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.7 mt-10 -91.7 -177.13 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.739 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 86.3 m-85 -162.66 136.81 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.2 ptt180 -144.49 122.64 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.7 tp -102.2 141.05 35.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.18 109.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.23 141.81 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -145.89 139.38 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.054 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 105.99 10.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 26.7 93.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.4 t 87.76 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 94.1 m-85 -58.06 117.46 4.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -116.99 113.16 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.1 p -76.29 160.01 30.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 51.1 m-20 -68.53 154.88 93.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 93' ' ' ASN . 26.8 p -45.51 173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -43.5 168.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -102.08 133.3 47.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.8 150.17 44.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.773 ' HB2' HD12 ' A' ' 75' ' ' LEU . 24.9 p30 -150.37 166.69 29.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.6 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -133.37 134.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.15 145.63 44.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 48.5 p -127.47 52.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -106.71 -17.59 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -103.07 39.66 2.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 99' ' ' THR . 4.1 mm? -91.16 127.26 36.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 t 67.86 -67.95 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' LEU . . . 131.62 132.72 3.39 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.62 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.49 -57.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.0 m -109.79 134.7 51.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -146.89 138.68 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.75 34.15 5.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.48 172.51 38.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.15 74.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -88.47 131.48 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 48.88 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -117.52 116.08 26.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -79.32 150.95 74.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.94 170.61 20.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.97 176.09 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.36 -175.49 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.7 46.02 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -87.94 126.02 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m -149.16 168.51 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -133.86 153.03 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.9 p -148.08 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 135.17 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.59 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.2 p -138.73 -172.75 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.96 -31.05 6.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.64 ' O ' HD21 ' A' ' 66' ' ' LEU . 25.2 mtt180 -91.64 -4.67 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' THR . . . 134.77 -167.63 23.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.041 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.16 120.31 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -89.76 131.03 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 16' ' ' ALA . 8.6 mt -107.38 127.47 53.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -113.82 122.6 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 35.4 p90 -128.73 177.4 7.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -122.2 150.54 57.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.0 149.79 37.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -58.63 -20.59 48.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.4 mt -108.46 108.23 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.9 t -129.64 142.35 45.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.638 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.05 -13.27 21.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 172.3 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 145.18 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -83.24 133.07 35.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.89 -33.66 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 154.68 170.61 20.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' HD22 ' A' ' 37' ' ' LEU . 85.8 m-85 -112.34 176.97 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.15 105.45 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 65' ' ' LEU . 29.1 tp -87.2 118.72 26.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -121.64 127.52 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.78 177.77 16.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 21.1 ptt180 176.49 153.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.713 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.5 mt-30 -91.59 137.51 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.41 -111.26 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 m -118.66 50.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.47 -176.18 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.65 129.59 12.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' ' NH1' ' A' ' 79' ' ' ARG . 57.7 m95 -55.23 125.06 19.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.6 pt-20 -116.67 125.93 52.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.2 112.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 67' ' ' VAL . 80.7 mt -78.7 -52.33 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -142.22 106.31 5.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.91 105.48 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ALA . 60.9 t -126.23 126.43 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -36.56 128.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.6 -3.04 39.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.9 p -109.11 -22.29 12.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 0.806 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.821 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -58.15 151.52 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -124.52 -11.15 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 mp0 -147.17 172.01 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 42' ' ' LEU . 12.5 tp -164.2 154.31 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.64 HD21 ' O ' ' A' ' 21' ' ' ARG . 4.5 tp -101.9 138.49 38.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 54' ' ' LEU . 53.6 t -140.29 80.41 19.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.36 20.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -73.13 53.15 1.78 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.041 HD12 HG11 ' A' ' 23' ' ' VAL . 3.9 mt -115.1 159.1 21.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.842 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.9 mm -113.34 156.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.89 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.4 OUTLIER -92.66 157.22 16.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t0 66.97 16.78 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.842 HG21 ' HB ' ' A' ' 71' ' ' ILE . 33.9 m -133.9 173.79 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.13 94.21 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.5 m-85 -81.08 122.03 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -89.87 174.61 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.74 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 73.6 m-85 -152.87 160.7 43.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.618 ' NH1' ' CE2' ' A' ' 51' ' ' TRP . 2.4 ptm180 -165.78 133.58 2.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.7 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.4 tp -115.44 137.67 51.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.581 HG12 ' HB3' ' A' ' 91' ' ' PRO . 2.0 m -136.39 112.65 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.71 141.39 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 39' ' ' GLY . 22.0 p90 -144.29 128.77 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.2 107.68 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.31 -111.11 3.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 -8.03 49.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -86.75 131.41 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.4 120.71 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 82' ' ' ALA . 9.3 p -84.73 162.36 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.9 OUTLIER -72.32 156.61 90.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 111.03 3.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 14' ' ' LEU . 61.5 p -45.54 172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.9 p-10 -39.68 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -94.68 128.24 41.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.86 149.46 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 35.4 p30 -151.17 167.66 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.547 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -124.01 166.65 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.6 t -122.06 161.74 22.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.028 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.89 HG21 ' HA ' ' A' ' 72' ' ' LYS . 6.4 t -157.74 31.37 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.2 p -76.03 -30.85 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.48 48.86 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.2 OUTLIER -108.31 136.47 47.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' LEU . 3.3 t 80.4 -63.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.04 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.37 145.99 3.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -144.12 156.99 44.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 m -154.92 110.62 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.36 134.87 15.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.27 34.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.39 -153.92 4.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.46 169.8 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 p -143.62 -176.58 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.81 -33.9 4.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' HB2' ' HG3' ' A' ' 34' ' ' PRO . 41.6 tp -100.23 115.74 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 3.7 m -79.56 152.06 75.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.01 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.04 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.8 mtt180 -156.05 179.53 9.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 56.23 15.13 9.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -56.99 98.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.7 p -125.64 168.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -132.86 164.51 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 24' ' ' LEU . 4.5 p -159.91 102.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' C ' ' CG2' ' A' ' 19' ' ' THR . 2.4 ttt-85 -64.79 148.1 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.49 -177.65 0.77 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.97 -35.32 3.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -84.15 -20.18 32.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 19' ' ' THR . . . 144.94 164.69 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.23 117.05 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -88.27 132.08 34.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.73 HD12 HD21 ' A' ' 42' ' ' LEU . 11.2 mt -106.68 128.84 54.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . 6.4 m170 -113.96 129.39 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.713 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -136.12 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -121.08 149.64 51.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.14 33.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.27 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.49 -18.76 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.5 mp -107.16 96.16 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -120.36 145.37 40.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.83 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.98 -16.16 20.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt 177.22 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 150.93 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -89.0 129.78 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.4 t0 -87.55 -29.64 21.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.84 170.35 17.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.705 ' CE1' HD22 ' A' ' 37' ' ' LEU . 76.8 m-85 -111.67 177.49 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' CE2' ' A' ' 83' ' ' PHE . 64.9 t -133.31 105.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 65' ' ' LEU . 4.2 tp -84.32 120.61 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.2 mt-10 -125.85 124.83 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.554 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.61 177.32 17.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 6.0 ptt180 178.15 147.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -112.39 157.56 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.29 -125.58 13.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 42.78 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.13 143.63 16.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.433 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 85.6 m95 -57.32 111.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.7 pt-20 -103.93 114.77 29.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.25 117.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 67' ' ' VAL . 24.4 mt -86.15 -35.29 20.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.504 ' OD2' HG22 ' A' ' 58' ' ' VAL . 35.6 t0 -159.5 106.35 1.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.429 1.752 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.66 106.52 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' OD2' ' A' ' 55' ' ' ASP . 61.0 t -126.04 128.88 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.31 128.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.29 -8.99 63.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.5 p -108.08 -13.63 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -60.68 157.45 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -133.81 10.79 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.593 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -175.19 168.07 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 42' ' ' LEU . 16.3 tp -161.55 154.15 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 tp -99.16 132.09 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 54' ' ' LEU . 77.0 t -129.59 81.91 68.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -8.26 19.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.563 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.26 50.24 2.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.042 HD12 HG11 ' A' ' 23' ' ' VAL . 2.4 mt -113.01 161.97 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.2 mm -118.97 160.42 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.27 7.87 5.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.724 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.3 m -125.96 173.3 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.83 94.27 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.642 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.81 126.72 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.45 -177.97 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.751 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 65.7 m-85 -160.41 143.93 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.4 ptt180 -152.46 125.05 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.713 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.4 tp -101.59 136.81 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 89' ' ' SER . 43.1 t -129.42 105.3 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.96 135.31 41.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 19.9 p90 -139.5 141.83 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.21 104.06 8.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.25 90.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 t 91.04 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 5.3 m-30 -57.44 138.05 55.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -133.6 130.38 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 81' ' ' VAL . 59.9 p -93.77 166.38 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -70.73 155.51 93.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.571 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 103.32 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' ASN . 65.7 p -40.52 162.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.687 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.03 151.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.4 m -84.49 149.87 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -139.13 141.25 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 75' ' ' LEU . 53.8 p30 -145.86 155.81 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.501 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.99 142.85 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.2 t -101.28 163.07 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.854 HG21 ' HA ' ' A' ' 72' ' ' LYS . 11.0 t -150.12 21.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 t -64.31 -33.8 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.26 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.807 HD23 ' HB2' ' A' ' 103' ' ' SER . 0.2 OUTLIER -103.89 147.08 27.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.749 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.807 ' HB2' HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER 73.26 36.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.945 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.54 -151.62 5.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.57 9.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t 176.79 -51.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.8 m -42.83 150.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.8 p -178.36 146.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.794 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.37 -13.97 20.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.38 175.82 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.63 169.15 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.28 121.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.81 40.35 1.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 27.3 tp -116.71 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -79.56 150.31 72.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 164.84 32.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.98 13.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.5 mtt180 -150.42 -168.2 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.75 34.54 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -77.93 127.74 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.4 m -152.0 168.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.708 ' CB ' HG12 ' A' ' 97' ' ' VAL . . . -128.78 168.72 15.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.0 p -162.39 108.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' NE ' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -68.95 129.15 39.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -132.44 -174.93 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 -37.14 2.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD21 ' A' ' 66' ' ' LEU . 13.0 mtt180 -85.12 -7.23 59.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 142.67 -161.77 27.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.2 m -113.85 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -82.55 148.97 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 mt -124.74 110.98 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.1 m170 -98.0 129.5 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.716 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 19.0 p90 -136.54 178.61 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -119.54 146.4 41.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.42 31.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.783 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.83 -33.55 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -91.65 113.96 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.8 t -135.37 143.22 44.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.685 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -11.46 21.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.801 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 6.9 mtmt 168.38 -85.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.61 156.34 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -91.31 133.77 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -92.17 -23.93 19.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 141.15 166.13 10.61 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.73 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 90.6 m-85 -108.2 176.86 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' CE2' ' A' ' 83' ' ' PHE . 74.6 t -131.81 104.89 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -85.59 114.63 22.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.517 ' CD ' HG22 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -121.82 121.51 37.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -122.44 177.66 16.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 22.1 ptt180 -178.61 148.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 10.5 pt20 -116.33 161.72 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.17 25.84 1.2 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.3 38.77 12.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.026 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -173.33 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.39 127.53 32.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 87.9 m95 -51.64 113.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -101.99 118.55 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 43' ' ' GLU . 73.4 t -59.36 105.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 42' ' ' LEU . 47.2 mt -78.19 -52.42 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -142.64 105.02 5.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.99 107.69 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 59' ' ' ALA . 10.3 t -125.97 130.38 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.78 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -34.34 122.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.12 56.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.9 p -109.71 -8.98 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.78 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.2 158.67 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.446 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -135.51 7.49 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 55.7 mp0 -152.26 168.63 24.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -167.07 144.76 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.8 tp -113.57 135.94 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.779 HG12 ' CD2' ' A' ' 70' ' ' LEU . 72.4 t -129.44 91.0 42.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.57 21.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.57 53.05 2.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.779 ' CD2' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -110.31 158.08 18.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.869 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -102.6 170.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.79 -126.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.513 ' C ' HG13 ' A' ' 74' ' ' VAL . 10.9 t0 -56.22 85.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.869 HG21 ' HB ' ' A' ' 71' ' ' ILE . 10.6 m -156.87 169.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.58 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -125.95 92.56 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CB ' HD13 ' A' ' 70' ' ' LEU . 3.1 m-85 -83.04 128.71 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 6.4 mt-10 -91.3 178.31 6.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 25' ' ' LEU . 66.7 m-85 -161.62 138.78 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.98 126.29 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.2 tp -102.79 135.97 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.975 HG13 ' O ' ' A' ' 89' ' ' SER . 37.4 t -129.93 103.45 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.73 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.1 127.86 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 41' ' ' VAL . 25.0 p90 -132.28 142.9 49.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HD22 ' A' ' 8' ' ' LEU . . . -127.64 108.87 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.36 -98.31 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.24 5.62 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.22 132.24 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' A' ' 81' ' ' VAL . 11.4 t -122.05 124.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.975 ' O ' HG13 ' A' ' 81' ' ' VAL . 32.6 p -86.77 166.96 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -71.48 152.75 93.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.542 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.893 ' OG ' HD12 ' A' ' 14' ' ' LEU . 76.2 p -39.39 162.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 92' ' ' SER . 1.5 p-10 -35.35 151.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -84.47 133.44 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -118.78 146.64 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.58 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -150.66 162.72 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.708 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.51 137.23 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.94 142.66 30.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.0 p -119.91 21.49 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.364 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -82.14 -30.71 30.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.37 -39.6 87.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.716 HD23 ' C ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -87.16 163.04 17.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.5 m 60.67 64.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.5 -176.08 44.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.99 4.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.46 85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -152.78 104.02 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -40.83 124.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 -23.24 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.0 44.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -103.25 158.92 15.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 41.4 t -121.14 -48.68 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.9 54.94 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 30.4 tp -122.02 120.16 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -86.44 145.54 40.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.06 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 171.29 18.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -142.78 176.38 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.11 43.07 24.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.665 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.5 tm? -82.66 129.33 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 ' N ' HD13 ' A' ' 14' ' ' LEU . 3.7 m -150.07 167.96 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -137.32 125.72 23.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.525 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -113.97 121.5 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -74.85 119.06 18.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -115.59 171.92 4.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.73 20.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 -26.75 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.4 -142.29 6.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.044 HG21 HD12 ' A' ' 70' ' ' LEU . 45.2 t -130.87 112.36 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.1 tp -87.69 127.82 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 42' ' ' LEU . 7.5 mt -103.77 132.48 49.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.8 m-70 -115.98 117.36 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.558 ' HB3' HD23 ' A' ' 14' ' ' LEU . 23.2 p90 -130.89 177.62 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -120.92 149.45 50.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -75.03 141.4 26.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.01 113.28 3.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -37.73 87.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -84.25 98.68 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -127.27 142.3 43.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.612 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 -12.49 21.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -126.33 174.75 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -98.75 105.7 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -33.14 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 58' ' ' VAL . . . 148.63 163.7 11.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.742 ' CD2' HD13 ' A' ' 80' ' ' LEU . 7.0 m-85 -109.15 179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' CE2' ' A' ' 83' ' ' PHE . 55.6 t -132.02 104.14 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 25' ' ' LEU . 1.5 tm? -84.31 115.36 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -110.4 171.01 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.665 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -169.84 170.48 42.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 7.8 ptt180 178.57 147.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 3.8 pm0 -113.98 149.33 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.41 -130.54 51.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 m -114.38 37.26 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.67 -172.43 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.62 152.4 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 93.1 m95 -65.28 138.66 58.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' HD23 ' A' ' 54' ' ' LEU . 7.2 pt-20 -128.64 109.99 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.34 100.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.781 HD13 HG11 ' A' ' 67' ' ' VAL . 21.6 mt -68.94 -40.01 79.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.16 106.8 2.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.13 107.83 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 58.3 t -125.77 131.16 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.17 127.75 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -9.07 61.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -112.05 -8.49 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.442 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.743 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.47 149.06 50.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -123.23 8.67 9.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -169.42 173.67 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.7 tp -165.1 154.07 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.8 tp -101.93 140.26 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 54' ' ' LEU . 35.7 t -142.7 81.87 12.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -10.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.654 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -69.77 53.06 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HG21 ' A' ' 23' ' ' VAL . 5.9 mt -117.14 160.25 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.664 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.4 mm -115.45 163.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -99.07 159.98 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.69 6.69 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG21 ' HB ' ' A' ' 71' ' ' ILE . 32.3 m -129.02 174.9 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.77 96.51 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 70' ' ' LEU . 1.8 m-85 -81.04 127.28 32.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.94 179.47 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.647 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -155.8 159.11 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.498 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 4.5 ptt180 -164.87 129.06 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.742 HD13 ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -102.64 133.44 47.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 89' ' ' SER . 41.1 t -127.53 98.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -73.83 144.06 45.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.689 ' CB ' HG12 ' A' ' 88' ' ' VAL . 18.8 p90 -148.37 143.9 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.69 107.59 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.15 4.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -1.71 57.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 6' ' ' SER . 8.4 m-30 -99.11 149.44 23.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.689 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.4 m -139.64 161.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.855 ' O ' HG13 ' A' ' 81' ' ' VAL . 27.1 p -120.45 165.08 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 34.4 m-20 -68.94 158.41 86.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.574 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' ASN . 26.2 p -40.25 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -35.94 152.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 3.1 m -88.3 138.35 31.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -129.56 150.55 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.645 ' HB2' HD12 ' A' ' 75' ' ' LEU . 52.7 p30 -149.56 163.05 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG11 HG13 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -129.04 133.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.17 162.03 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -157.09 55.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.6 t -108.63 -28.36 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.1 17.12 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.826 HD22 ' HB2' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.37 151.36 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 0.801 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.826 ' HB2' HD22 ' A' ' 102' ' ' LEU . 0.6 OUTLIER 67.26 -73.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 102' ' ' LEU . . . -58.25 134.7 52.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.03 2.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 82.13 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t 58.7 113.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -179.34 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -98.67 32.15 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.28 -172.42 13.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -80.17 126.64 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -177.78 147.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.74 77.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 57.5 tp -107.71 118.57 37.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.78 148.43 51.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.5 Cg_endo -74.96 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.4 mtt180 -152.34 174.34 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 61.11 11.1 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.16 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.2 p -125.48 168.47 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -131.17 163.73 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 24' ' ' LEU . 3.5 p -156.83 104.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -65.87 145.33 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.34 -177.1 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -37.77 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -18.7 48.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 19' ' ' THR . . . 142.41 166.3 10.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.24 114.79 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.745 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -86.43 137.77 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.649 HD23 ' CB ' ' A' ' 16' ' ' ALA . 10.9 mt -111.43 134.97 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.619 ' HB2' HG12 ' A' ' 15' ' ' VAL . 2.4 m-70 -120.2 128.6 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.577 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.707 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.9 p90 -136.21 177.89 7.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -124.53 153.73 69.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 152.29 40.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.543 ' HG3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.99 123.22 7.73 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.54 -19.22 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -113.11 81.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.79 150.65 44.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -75.03 -33.94 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 13.8 mtmt -161.02 -104.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -113.41 147.93 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -82.67 121.03 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -20.2 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.637 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 143.21 159.48 7.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 37' ' ' LEU . 84.9 m-85 -102.04 176.8 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.98 HG12 ' OE1' ' A' ' 43' ' ' GLU . 62.5 t -131.23 104.04 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 54' ' ' LEU . 2.7 tm? -85.45 118.94 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.98 ' OE1' HG12 ' A' ' 41' ' ' VAL . 1.6 mp0 -112.26 173.07 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.71 167.5 40.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 20.4 ptt180 -176.53 150.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.717 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 34.5 mt-30 -81.84 179.1 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.87 108.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 p 42.38 50.67 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -107.65 -172.21 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.31 144.81 22.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -73.16 112.04 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.2 pt-20 -107.2 114.88 29.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.573 HG22 ' OE2' ' A' ' 43' ' ' GLU . 82.4 t -57.4 107.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 42' ' ' LEU . 31.5 mt -77.13 -42.84 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.86 106.95 2.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.33 104.26 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.3 t -126.5 121.86 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -32.56 128.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.42 52.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.7 p -110.88 -17.5 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.581 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 mm-40 -58.1 160.03 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 18.4 p -136.72 9.79 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.591 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.45 169.99 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.672 HD23 ' HG ' ' A' ' 42' ' ' LEU . 4.0 tp -165.37 149.72 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -96.83 142.57 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.702 HG11 HD13 ' A' ' 54' ' ' LEU . 60.0 t -143.19 77.06 16.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.71 20.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.642 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -72.95 53.64 1.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.039 HD12 HG11 ' A' ' 23' ' ' VAL . 6.4 mt -116.79 158.96 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.661 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.3 mm -106.25 171.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.551 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -104.16 149.51 25.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.5 t0 72.8 8.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB ' ' A' ' 71' ' ' ILE . 4.0 m -121.6 170.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.47 94.93 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.721 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.47 133.58 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.0 mt-10 -97.88 -177.66 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.723 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.5 m-85 -161.53 158.89 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.0 ptt180 -165.83 129.94 2.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.707 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 7.0 tp -102.54 145.53 29.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.905 HG13 ' O ' ' A' ' 89' ' ' SER . 49.6 t -138.58 105.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 89' ' ' SER . . . -74.31 136.12 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.2 p90 -145.02 133.07 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -119.51 106.85 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.21 8.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.5 19.1 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.05 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 2.9 m-85 -113.3 140.77 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.63 138.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.905 ' O ' HG13 ' A' ' 81' ' ' VAL . 43.7 p -103.09 166.12 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.36 155.85 92.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.586 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.0 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' ASN . 60.2 p -44.05 167.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.506 ' H ' ' ND2' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -39.55 147.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -81.19 134.93 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.53 144.52 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.0 p30 -150.94 167.03 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.502 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -126.5 166.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.76 121.07 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.9 p -103.22 44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 p -93.9 -26.34 16.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -115.78 37.67 3.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.784 HD23 ' HB2' ' A' ' 103' ' ' SER . 0.1 OUTLIER -88.8 151.96 22.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.784 ' HB2' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER 72.68 -70.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.17 162.96 36.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.51 23.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.762 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 125.08 6.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.22 121.32 44.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -121.94 163.64 18.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -121.71 36.92 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.48 54.1 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -174.74 169.12 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' HG ' ' HE2' ' A' ' 87' ' ' PHE . 6.3 m -134.49 -56.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.1 61.9 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 34' ' ' PRO . 53.6 tp -119.14 121.94 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 56.5 p -86.46 141.25 34.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.99 176.54 9.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -154.31 -175.68 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.36 44.51 5.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 27' ' ' TRP . 59.9 tp -88.71 125.16 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -146.94 169.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -129.56 147.69 51.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 24' ' ' LEU . 1.5 p -142.47 104.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.661 ' NH1' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.56 119.76 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.3 p -121.68 -175.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.93 -27.16 10.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.62 ' O ' HD21 ' A' ' 66' ' ' LEU . 1.1 mtt-85 -92.38 -17.91 24.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' THR . . . 150.88 -173.93 30.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 70' ' ' LEU . 1.5 m -97.18 114.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -84.24 128.47 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 42' ' ' LEU . 10.5 mt -107.04 113.97 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 2.2 m170 -100.32 120.84 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.67 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 20.6 p90 -128.66 171.92 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ARG . 2.7 m-20 -116.83 151.4 47.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.0 Cg_endo -75.04 154.65 42.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 114.06 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 2.6 tt0 -65.04 -30.11 71.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.2 mt -111.79 108.52 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.641 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -135.89 148.68 66.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -32.73 5.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 33.1 mttt -150.07 -111.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -117.92 155.63 29.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.61 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -79.23 107.05 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -35.01 75.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.98 155.37 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 64.0 m-85 -100.93 177.53 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.7 t -132.0 106.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 65' ' ' LEU . 2.4 tp -83.91 116.61 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -123.61 119.63 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.94 -178.23 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 12.5 ptt180 179.38 146.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.646 ' OE1' HG21 ' A' ' 74' ' ' VAL . 12.4 pt20 -123.49 131.98 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 16.99 63.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.416 1.073 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 61.9 m 61.67 41.77 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.32 -162.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.95 132.15 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 94.9 m95 -61.43 121.52 12.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.4 pt-20 -110.08 109.43 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.6 t -49.8 104.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 67' ' ' VAL . 36.3 mt -71.45 -47.61 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 2.5 t0 -145.5 106.51 4.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.86 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.41 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' ALA . 94.5 t -125.66 129.09 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.13 124.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.31 -9.22 54.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -105.16 -13.49 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -66.27 146.23 54.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.83 9.23 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -172.45 173.45 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 42' ' ' LEU . 12.7 tp -166.32 154.87 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.7 tp -100.62 139.5 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.574 HG11 ' HE1' ' A' ' 78' ' ' PHE . 69.4 t -130.68 84.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.0 2.54 6.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -79.06 27.04 2.37 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 23' ' ' VAL . 3.0 mt -107.39 160.04 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.612 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -127.46 -155.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.822 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -122.52 157.4 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.3 21.37 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.646 HG21 ' OE1' ' A' ' 46' ' ' GLN . 18.6 m -136.81 156.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -117.61 92.93 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.1 m-85 -82.95 126.05 32.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 10.3 mt-10 -90.64 -177.89 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.77 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.3 m-85 -162.75 149.02 12.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 7.2 ptt180 -155.07 122.69 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.4 tp -102.08 140.22 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -137.32 109.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.18 136.94 42.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 10.1 p90 -142.22 134.08 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -116.83 108.13 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.44 -109.53 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.36 -13.96 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' ALA . 64.8 m-85 -86.15 132.6 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.08 142.1 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 5.3 p -109.41 158.53 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.6 m-20 -69.3 156.0 92.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 93' ' ' ASN . 46.5 p -45.98 176.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' SER . 9.6 p-10 -43.89 170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m -101.11 131.81 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -120.85 146.3 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.561 ' HB2' HD12 ' A' ' 75' ' ' LEU . 39.3 p30 -150.11 159.27 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.878 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -116.78 147.19 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 t -110.77 151.42 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.822 HG21 ' HA ' ' A' ' 72' ' ' LYS . 9.1 t -149.26 30.7 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -71.16 -30.78 66.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.78 51.46 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.661 HD12 ' NH1' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -108.2 175.01 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 t -64.02 123.02 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.83 155.01 7.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.42 33.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -158.44 107.11 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.1 m -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -143.19 -60.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 29.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.43 124.69 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 64.44 94.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t -161.84 103.74 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.69 26.64 5.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 61.2 tp -114.23 119.59 37.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.88 148.64 51.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.963 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.07 166.89 28.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.39 29.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -141.12 -179.23 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 50.16 35.05 25.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.036 HD12 ' O ' ' A' ' 93' ' ' ASN . 2.2 tm? -80.42 115.15 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -141.59 168.01 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.92 122.31 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.842 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -112.67 117.54 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' HG23 ' A' ' 97' ' ' VAL . 5.6 tmm_? -69.84 127.59 33.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -130.91 167.49 21.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.7 -13.32 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.2 -135.53 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.9 t -131.69 122.96 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' CD ' ' A' ' 64' ' ' GLU . 5.0 tp -97.1 102.94 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -81.21 110.61 16.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.842 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.5 m170 -98.38 125.13 43.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.777 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.4 p90 -136.03 178.72 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -125.02 152.84 71.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -75.02 152.25 40.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.99 116.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.39 -10.06 59.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' LEU . 8.8 mt -124.99 93.46 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.51 151.05 62.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.4 mtmt -158.29 -104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.3 149.06 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD22 ' CZ ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.52 129.7 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.29 -20.2 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 132.7 159.2 9.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.726 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 12.1 m-85 -102.4 178.9 4.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.07 106.93 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.811 HD21 HD23 ' A' ' 25' ' ' LEU . 19.9 tp -74.54 119.91 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.3 mt-10 -124.27 113.24 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 177.62 16.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 8.1 ptt180 179.87 148.66 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 3.2 pt20 -114.15 137.79 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.78 37.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.3 m -110.34 44.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -174.68 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.02 140.76 16.57 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -57.17 110.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.8 pt-20 -103.02 114.1 28.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 41' ' ' VAL . 61.4 t -61.45 109.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 67' ' ' VAL . 29.3 mt -69.17 -40.51 78.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 105.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.7 t -126.29 133.09 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.29 123.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -67.34 -9.16 54.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.5 p -108.82 -12.79 14.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.681 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -63.4 159.61 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -130.52 3.69 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.686 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -170.67 173.1 5.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.0 tp -166.53 154.14 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 6.7 tp -93.73 142.99 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 54' ' ' LEU . 47.8 t -134.98 82.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.52 21.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -77.04 53.1 3.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.664 ' CD1' HG21 ' A' ' 23' ' ' VAL . 1.5 mt -113.28 159.69 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.797 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -112.37 160.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.16 145.27 26.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 72.46 27.8 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.5 m -141.05 173.82 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.04 94.78 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -80.88 130.38 35.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.54 -177.8 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m-85 -163.54 140.33 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -154.11 127.09 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.777 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.5 tp -102.04 139.96 36.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -124.92 103.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.82 110.08 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 11.5 p90 -121.23 139.95 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -126.55 105.15 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.9 90.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.3 t 89.21 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 88.7 m-85 -57.85 124.54 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -123.5 112.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.562 ' O ' HG12 ' A' ' 81' ' ' VAL . 51.5 p -76.45 168.51 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -72.14 153.02 92.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.08 103.86 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 93' ' ' ASN . 37.5 p -36.76 156.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 1.036 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p-10 -35.67 151.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -81.61 144.38 31.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -135.55 147.62 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.525 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -149.61 165.78 31.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.635 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -134.18 137.66 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t -83.87 152.23 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.445 ' OG1' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -142.03 66.29 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.3 -0.57 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.31 -36.68 1.08 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -55.52 157.15 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.8 t 68.62 -71.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.95 116.02 0.69 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.85 42.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.565 1.824 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -171.87 138.15 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.75 103.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -155.73 156.55 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.756 . . . . 0.0 109.968 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -96.87 22.79 7.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 158.81 42.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -88.35 138.1 31.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -144.91 109.47 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.87 33.68 3.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 34' ' ' PRO . 32.7 tp -107.08 125.13 50.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -90.72 145.07 31.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.98 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.01 176.99 9.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -149.66 171.8 16.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.31 56.55 9.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -94.64 118.92 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -130.98 167.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.607 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -144.56 114.05 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.3 p -111.08 107.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -65.64 139.48 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.723 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 60.7 p -137.39 173.81 5.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.723 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -134.25 10.15 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 133.63 -148.19 19.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.902 ' CG1' HD11 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -132.91 124.21 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.47 104.63 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.607 HD23 ' CB ' ' A' ' 16' ' ' ALA . 1.1 mt -88.89 134.8 33.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -121.64 117.67 27.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.784 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -124.97 176.6 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.14 150.67 57.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.12 35.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.539 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.97 121.17 6.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.4 mt -111.73 87.82 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -121.5 149.35 52.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -33.65 4.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.7 mtmt -150.9 -108.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 156.03 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.08 110.02 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -38.71 84.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.78 150.84 5.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 55.8 m-85 -96.7 177.11 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.592 HG13 HG23 ' A' ' 81' ' ' VAL . 1.2 p -134.65 111.72 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.035 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.21 110.47 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.801 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.5 mt-10 -116.44 115.18 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.75 177.61 16.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 6.9 ptt180 177.09 149.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.7 pt20 -112.09 151.23 29.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.49 -129.1 36.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -116.33 44.41 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -176.55 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.46 142.14 22.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 67.0 m95 -59.1 111.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.3 pt-20 -100.05 110.06 22.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.801 HG22 ' CG ' ' A' ' 43' ' ' GLU . 94.8 t -62.51 105.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.035 HD12 ' CD1' ' A' ' 42' ' ' LEU . 21.7 mt -64.56 -44.39 90.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -165.42 104.69 0.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HA ' HG23 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.97 -16.63 20.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.98 100.69 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.0 t -126.26 136.87 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.615 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.9 128.16 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.09 -9.71 72.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.0 p -107.88 -8.98 15.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.615 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -71.15 157.89 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.407 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 20.4 p -133.08 6.82 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 pm0 -167.84 164.57 14.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.7 tp -155.63 152.64 28.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 tp -113.47 128.39 56.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.544 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 71.3 t -119.78 105.18 43.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.2 Cg_endo -75.03 -11.69 21.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -54.8 -109.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.902 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.1 mt 46.56 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.615 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.4 mt -149.35 -150.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.615 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -131.52 149.05 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.497 ' C ' HG13 ' A' ' 74' ' ' VAL . 7.1 m-20 62.34 41.18 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 99' ' ' THR . 19.4 m -156.33 155.48 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -114.28 96.17 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.4 m-85 -81.76 125.47 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.8 mt-10 -90.12 -179.15 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 77.9 m-85 -162.68 146.98 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -151.26 128.94 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.784 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.82 133.5 47.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.758 HG22 ' HB3' ' A' ' 91' ' ' PRO . 0.8 OUTLIER -125.68 105.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -76.61 110.55 11.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.9 p90 -120.39 129.01 53.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -113.27 108.0 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.89 -112.9 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.158 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -26.34 53.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.808 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' ALA . 84.0 m-85 -78.22 134.28 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 83' ' ' PHE . 2.2 t -131.62 124.22 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 81' ' ' VAL . 7.0 p -91.26 167.92 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.7 m-20 -78.2 157.13 78.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.758 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 110.26 3.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 35.7 p -44.33 170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 92' ' ' SER . 9.9 p-10 -39.03 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -94.48 134.74 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -104.48 155.85 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -149.9 143.56 25.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.732 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.5 m -128.59 158.1 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.7 t -107.21 156.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -149.41 54.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 t -112.94 -31.38 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.36 45.99 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.3 171.31 9.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.4 t 54.84 85.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.99 -113.21 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.99 5.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 t -173.87 136.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.4 m -111.72 140.84 46.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -168.78 120.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -123.1 20.16 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -38.03 -84.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.85 74.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -118.0 154.2 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.86 18.54 1.79 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 84' ' ' ALA . 45.5 tp -112.27 121.41 44.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 m -88.93 145.35 34.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.99 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 179.35 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -149.43 168.7 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.28 71.71 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.6 tp -107.99 114.13 27.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.5 m -127.24 162.84 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 97' ' ' VAL . . . -131.04 109.37 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.6 p -98.05 100.95 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -66.53 127.57 32.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 22' ' ' GLY . 1.5 p -128.39 -177.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -10.48 21.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -112.23 -10.51 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 19' ' ' THR . . . 143.76 -171.69 25.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.047 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -105.5 114.43 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -83.52 110.96 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.011 HD23 HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -79.95 132.15 35.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.539 ' CE1' HG11 ' A' ' 17' ' ' VAL . 5.6 m170 -118.55 108.37 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 34.9 p90 -119.34 171.58 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.017 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.76 151.86 49.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.67 34.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.01 122.18 7.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.04 -12.71 60.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -117.84 83.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.765 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -117.68 151.76 48.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.765 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.97 -34.57 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' H ' HG23 ' A' ' 33' ' ' VAL . 6.5 mttt -162.58 -101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -111.75 146.91 36.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.886 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -79.08 124.01 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.41 -24.24 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.59 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.5 154.88 6.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.886 ' CE1' HD22 ' A' ' 37' ' ' LEU . 43.7 m-85 -96.95 178.26 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 81' ' ' VAL . 1.4 p -139.49 105.94 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD23 ' A' ' 25' ' ' LEU . 16.5 tp -78.73 125.09 28.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.3 mt-10 -127.86 116.91 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.84 -179.19 16.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 11.5 ptt180 174.47 152.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.731 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.773 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -88.97 149.3 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 33.0 -98.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.16 38.78 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.87 -174.37 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.99 138.13 21.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 70.8 m95 -63.48 101.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 54' ' ' LEU . 3.7 pt-20 -91.62 117.55 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' HD3' ' A' ' 56' ' ' PRO . 50.0 t -63.28 105.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD13 HG11 ' A' ' 67' ' ' VAL . 8.7 mt -68.74 -52.49 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -157.86 101.75 1.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.0 -19.91 17.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.82 96.0 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' A' ' 59' ' ' ALA . 92.7 t -126.56 120.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -27.21 137.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' LEU . . . -81.0 11.1 44.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.8 p -127.03 0.54 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.826 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.7 mm-40 -76.81 153.05 35.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.15 1.33 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.616 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -167.45 166.94 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.9 tp -161.67 153.12 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.7 tp -99.38 139.35 35.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.821 HG11 HD13 ' A' ' 54' ' ' LEU . 87.2 t -138.08 86.11 18.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.0 -21.33 15.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' PRO . . . -35.91 -43.31 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.047 HD12 HG11 ' A' ' 23' ' ' VAL . 2.5 mt -39.71 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -115.13 -153.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.639 ' H ' HG22 ' A' ' 71' ' ' ILE . 1.1 mtmt -128.2 136.94 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 1.4 t70 83.28 19.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.6 157.53 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -113.3 95.14 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.0 m-85 -84.02 136.49 34.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.0 mt-10 -95.15 179.0 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.934 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 66.4 m-85 -160.32 149.14 17.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 6.0 ptt180 -159.97 128.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -103.15 143.15 32.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -130.61 105.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -77.21 109.83 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 12.7 p90 -120.01 138.22 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -125.86 106.47 9.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 24.5 94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 86.96 -61.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' ALA . 96.8 m-85 -58.15 119.49 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.68 112.03 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 26.9 p -75.95 166.82 22.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.11 155.68 90.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -74.99 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' PRO . 22.0 p -39.56 164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' SER . 7.6 p-10 -37.1 155.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -83.86 136.27 34.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -108.48 125.64 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.512 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -112.43 147.94 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.678 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.32 147.33 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -112.47 158.72 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.22 69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.419 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -111.86 -32.07 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.38 55.32 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -92.88 147.72 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 102' ' ' LEU . 4.9 t 78.87 -69.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.31 117.7 2.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.03 113.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.0 p -173.49 126.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 117.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 p -116.03 33.93 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.24 63.11 3.74 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.567 1.167 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -114.28 -63.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -44.44 128.98 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.66 45.36 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 33' ' ' VAL . 58.1 tp -105.32 117.64 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -84.5 140.25 38.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 174.41 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.82 17.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -145.79 171.0 15.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 45.5 65.23 2.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 11.0 tp -104.57 115.93 31.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.8 m -131.61 149.57 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . . . -111.48 117.97 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 26' ' ' HIS . 4.1 p -106.96 108.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -66.69 123.48 20.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.425 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.4 p -125.77 169.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -113.34 -13.12 12.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.28 -147.01 16.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.022 HG21 HD12 ' A' ' 70' ' ' LEU . 5.8 t -125.12 118.46 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -96.56 123.64 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.805 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.31 109.17 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.509 ' CE1' HG11 ' A' ' 17' ' ' VAL . 4.3 m170 -92.28 109.03 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.5 p90 -118.01 177.4 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 108.047 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.93 147.96 45.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.15 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.62 -48.76 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.4 mt -77.09 113.75 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -139.05 142.42 33.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.01 -14.39 21.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.8 -88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -135.14 173.46 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.79 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -34.33 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.576 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 157.26 156.08 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.585 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 72.5 m-85 -103.32 176.86 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 0.715 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.85 104.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 67' ' ' VAL . 2.5 tm? -90.02 116.46 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -111.22 170.44 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.54 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -167.77 176.43 42.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 3.2 ptt180 178.23 147.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.629 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 10.9 pt20 -115.84 129.76 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 -132.8 14.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -114.47 44.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -173.1 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.38 144.71 20.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -60.59 124.41 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.0 pt-20 -109.64 127.3 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.3 102.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.941 HD13 HG11 ' A' ' 67' ' ' VAL . 28.8 mt -71.47 -48.37 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.655 ' OD2' HD11 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -145.89 102.99 4.17 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.95 -44.99 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 59' ' ' ALA . 34.8 t -127.22 122.68 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -33.34 139.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.64 17.3 35.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -129.34 3.61 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.846 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.1 mm-40 -88.4 162.99 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -132.36 4.01 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.805 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.42 164.81 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.655 HD11 ' OD2' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.42 138.45 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' H ' HD22 ' A' ' 65' ' ' LEU . 3.6 tp -92.85 129.31 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.941 HG11 HD13 ' A' ' 54' ' ' LEU . 79.3 t -131.36 83.28 59.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.09 21.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.572 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -72.62 54.13 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.022 HD12 HG21 ' A' ' 23' ' ' VAL . 2.4 mt -114.71 159.2 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.1 mm -113.97 162.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.878 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -98.63 158.73 15.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 67.17 9.65 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.758 HG21 ' HB ' ' A' ' 71' ' ' ILE . 16.5 m -127.38 173.94 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.26 94.16 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.2 m-85 -81.84 125.94 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.53 -178.97 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.86 ' CE2' HG11 ' A' ' 23' ' ' VAL . 54.5 m-85 -157.88 157.13 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -167.54 127.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.7 tp -100.62 149.95 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 89' ' ' SER . 38.5 t -140.28 104.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.57 136.52 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.8 p90 -143.98 134.69 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -122.34 107.17 11.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.56 -116.39 9.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.55 17.0 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.6 m-85 -112.39 130.53 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.16 125.48 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.841 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -88.49 161.04 17.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.5 m-20 -68.54 155.55 92.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.683 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 93' ' ' ASN . 28.6 p -43.48 172.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -43.12 171.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.474 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -106.43 129.77 54.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -125.74 151.04 47.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.666 ' CG ' HD11 ' A' ' 75' ' ' LEU . 17.1 p30 -150.96 168.41 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 m -123.39 165.78 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -122.22 157.26 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.878 HG21 ' HA ' ' A' ' 72' ' ' LYS . 9.4 t -148.29 22.18 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 p -62.14 -27.37 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.84 -27.6 73.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 162.92 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.786 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.34 79.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.22 156.69 15.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 63.08 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 t 43.92 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.11 170.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -150.4 108.28 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.79 32.44 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.93 172.56 16.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -100.45 121.85 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -150.52 106.5 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 110.01 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.85 14.09 9.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp -88.75 120.83 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 67.2 p -82.05 141.54 47.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ASP . 2.0 mtt180 -158.98 171.7 19.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 59.52 13.95 25.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 93' ' ' ASN . 17.5 tp -58.49 101.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' A' ' 26' ' ' HIS . 7.3 p -123.1 150.11 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . . . -110.61 147.43 34.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.81 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -141.72 103.04 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 130.08 42.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.46 175.95 3.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.28 9.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -115.77 -16.77 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.73 -153.16 25.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 78' ' ' PHE . 4.2 t -113.45 123.24 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . 4.8 tp -97.84 102.43 14.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -80.68 109.43 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.81 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.7 m170 -96.07 109.22 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -116.89 177.78 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 108.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -122.58 150.81 58.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.73 28.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 111.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.2 tp10 -65.47 -20.71 66.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.1 mp -105.56 92.15 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -120.57 143.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.694 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -15.32 20.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -171.56 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -131.02 170.13 14.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -95.12 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -36.04 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.543 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 157.38 155.83 7.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 84.9 m-85 -102.73 177.03 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.74 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -135.83 106.54 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -89.62 110.77 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.5 mt-10 -112.88 128.96 56.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -129.64 -179.63 16.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.152 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 17.1 ptt180 -179.23 146.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.862 ' NE2' HG21 ' A' ' 74' ' ' VAL . 4.4 pt20 -125.9 136.65 53.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.5 36.65 68.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.86 18.33 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.59 136.21 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 95.2 m95 -57.06 105.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 3.7 pt-20 -101.01 102.2 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.7 t -41.31 102.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 42' ' ' LEU . 72.7 mt -67.86 -35.62 78.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.5 ' OD2' HG22 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -157.47 106.64 1.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.07 108.77 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' OD2' ' A' ' 55' ' ' ASP . 94.5 t -125.83 127.92 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.05 128.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.44 -4.78 58.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.6 p -111.71 -3.42 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 mm-40 -78.53 140.57 38.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -113.13 2.23 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.632 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -166.37 163.4 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.0 tp -155.42 151.74 28.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 24.9 tp -91.01 148.02 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 54' ' ' LEU . 2.8 t -142.0 82.51 13.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.78 20.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' LEU . . . -49.27 -55.2 13.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -39.11 158.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.68 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -128.62 -172.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.902 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -102.37 172.45 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.509 ' H ' HG23 ' A' ' 99' ' ' THR . 0.1 OUTLIER 60.06 14.12 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.862 HG21 ' NE2' ' A' ' 46' ' ' GLN . 17.1 m -136.56 165.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -124.99 93.1 3.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.906 ' CD1' HD12 ' A' ' 70' ' ' LEU . 1.3 m-85 -83.57 146.09 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 13.0 mt-10 -104.22 -176.84 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.766 ' HE2' HG13 ' A' ' 97' ' ' VAL . 59.6 m-85 -160.11 156.24 26.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.531 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 6.0 ptt180 -166.81 124.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.791 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.1 tp -102.04 136.84 41.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.989 HG13 ' O ' ' A' ' 89' ' ' SER . 33.4 t -128.55 102.29 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.8 129.01 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.2 p90 -136.21 135.77 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -118.71 104.78 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.26 89.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.4 t 90.07 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 85.5 m-85 -57.88 124.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.72 131.0 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.989 ' O ' HG13 ' A' ' 81' ' ' VAL . 24.6 p -96.51 161.06 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 18.7 m-20 -68.48 156.93 89.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.95 101.89 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' PRO . 63.3 p -39.05 163.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.044 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.811 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -33.84 145.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.77 131.06 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -115.63 144.79 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 7.4 p30 -150.91 151.94 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.766 HG13 ' HE2' ' A' ' 78' ' ' PHE . 2.3 m -111.64 167.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.6 t -131.7 155.54 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.902 HG21 ' HA ' ' A' ' 72' ' ' LYS . 11.0 t -158.88 44.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -90.78 -32.4 16.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.47 56.38 0.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.739 HD23 ' C ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -105.34 152.3 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 p 50.0 50.16 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -121.43 -152.5 8.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.428 1.08 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.26 103.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.2 t -55.71 -56.94 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.93 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 0.785 . . . . 0.0 109.97 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.49 34.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.29 -148.13 18.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.23 -50.13 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 60.29 121.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.51 41.68 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD13 ' HD2' ' A' ' 34' ' ' PRO . 39.7 tp -96.04 125.81 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 60.5 p -88.69 138.16 29.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.98 175.87 10.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 8.6 mtt180 -149.64 166.94 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.68 51.47 54.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.52 105.23 17.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -120.14 169.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -141.03 122.09 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -124.04 110.49 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' NH2' ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -72.5 148.09 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -151.16 -174.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -8.69 20.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.925 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.43 17.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 114.02 -148.83 18.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.098 HG13 HG23 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -123.85 127.12 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 26' ' ' HIS . 1.8 tp -93.13 111.46 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.771 HD21 ' CD2' ' A' ' 78' ' ' PHE . 9.0 mt -94.08 113.49 25.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.2 m170 -98.52 128.92 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 16.6 p90 -136.02 170.08 16.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -115.32 149.97 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.07 149.85 36.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 118.35 5.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.79 -19.61 51.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.2 mt -113.47 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.34 151.59 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.3 mmtt -142.19 -111.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -118.36 151.63 37.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 106.4 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -35.23 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.612 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.25 151.33 6.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.588 1.18 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 62' ' ' GLU . 54.6 m-85 -96.89 177.85 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.505 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.6 t -136.28 107.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.781 HD22 HD23 ' A' ' 65' ' ' LEU . 51.2 tp -85.45 118.93 25.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -122.7 128.71 50.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.649 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -130.91 -179.75 16.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 48' ' ' SER . 13.1 ptt180 178.78 146.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.9 pt20 -118.45 160.7 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 23.5 4.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 47.0 m 62.2 34.84 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -172.2 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.21 138.62 45.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -62.45 137.86 58.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 54' ' ' LEU . 1.9 mt-10 -123.31 124.72 43.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 56' ' ' PRO . 40.1 t -63.59 92.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.649 HD11 ' HA3' ' A' ' 44' ' ' GLY . 8.8 mt -64.72 -37.57 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.4 t0 -157.92 102.81 1.76 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HB3' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.35 108.21 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' OE2' ' A' ' 62' ' ' GLU . 53.3 t -127.06 130.6 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' CG ' ' A' ' 62' ' ' GLU . . . -34.26 150.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.27 -0.54 65.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -122.46 31.93 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' OE1' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -106.77 167.24 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -140.04 10.71 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.635 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 pt-20 -178.93 166.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD23 HD22 ' A' ' 42' ' ' LEU . 5.6 tp -159.38 154.31 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.925 HD21 ' O ' ' A' ' 21' ' ' ARG . 14.5 tp -91.66 147.27 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.098 HG23 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.8 66.48 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.37 19.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -64.71 -17.82 63.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -44.98 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 0.786 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -117.29 170.51 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -100.21 144.69 28.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HG13 ' A' ' 74' ' ' VAL . 1.8 t0 69.95 36.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 71' ' ' ILE . 15.0 m -153.95 163.06 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -120.9 96.05 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.939 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -83.57 137.46 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 mt-10 -92.81 -177.85 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HD21 ' A' ' 25' ' ' LEU . 44.6 m-85 -158.82 144.29 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.6 ptt180 -155.63 122.29 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.39 136.58 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -135.65 107.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.4 143.62 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.66 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 8.3 p90 -145.26 133.51 21.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -123.03 145.32 48.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.93 -125.85 1.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.59 30.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 4.0 m-85 -119.77 159.77 23.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.02 126.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.0 p -91.64 157.91 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -69.38 154.9 94.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.94 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' ASN . 63.7 p -42.95 167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 12.0 p-10 -37.36 155.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 49.6 m -91.55 144.68 25.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -117.31 160.17 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.57 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -150.62 156.61 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -142.44 166.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -117.54 155.29 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -141.07 37.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -75.78 -32.92 60.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.18 43.48 1.71 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.65 HD23 ' C ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -92.93 156.82 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t 42.28 63.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.23 149.28 16.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.54 119.5 38.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.63 -57.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.23 -64.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -71.52 -22.81 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.25 167.08 24.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -41.17 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.483 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 18.3 m 57.92 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.53 40.94 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' HD2' ' A' ' 34' ' ' PRO . 56.2 tp -101.48 126.08 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 57.3 p -86.47 140.96 34.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.03 173.45 14.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -148.88 175.35 11.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.6 43.59 53.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -86.07 118.96 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -138.73 169.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -139.98 113.96 8.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.691 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -109.7 108.98 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' C ' ' CG2' ' A' ' 19' ' ' THR . 3.8 tmm_? -66.9 145.9 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.558 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -155.57 -174.64 0.44 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -38.8 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.809 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.43 -1.44 53.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' THR . . . 123.05 173.03 13.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.009 HG13 HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.88 122.22 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -90.75 110.23 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 78' ' ' PHE . 5.3 mt -87.65 124.94 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.691 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.8 m170 -112.87 125.65 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.683 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -131.97 177.46 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -124.18 150.89 64.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.82 37.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.93 121.54 6.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -100.48 89.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -122.96 149.39 56.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' H ' HG23 ' A' ' 33' ' ' VAL . 8.8 mtpp -151.17 -107.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -116.94 152.22 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.72 103.93 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -36.72 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.639 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.36 151.74 5.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.73 ' OH ' HD23 ' A' ' 37' ' ' LEU . 70.2 m-85 -96.47 174.89 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -136.92 106.92 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 54' ' ' LEU . 1.1 tm? -81.12 115.56 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -119.31 123.24 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.87 165.29 18.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLU . 35.8 ptt180 -166.09 156.67 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.611 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -99.42 146.69 26.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 35.99 -101.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -129.72 41.66 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -175.79 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.43 130.4 10.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -49.82 110.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.57 130.14 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.82 95.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -65.84 -51.2 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 1.3 t70 -161.16 103.47 1.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.97 -29.19 8.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.24 102.14 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 64.7 t -126.67 121.7 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.885 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -36.86 138.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.73 11.16 54.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -119.33 -1.77 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.885 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.5 mm-40 -84.16 161.27 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.98 8.43 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.6 pm0 -169.48 167.12 10.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.9 tp -153.59 154.55 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.809 HD21 ' O ' ' A' ' 21' ' ' ARG . 12.4 tp -99.91 140.9 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.009 HG23 HG13 ' A' ' 23' ' ' VAL . 2.7 m -142.44 66.52 19.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -7.01 18.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -65.3 -19.12 66.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -41.24 161.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.666 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -109.25 170.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -106.17 140.43 39.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 82.18 23.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.666 HG21 ' HB ' ' A' ' 71' ' ' ILE . 35.3 m -142.8 171.31 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -124.72 94.88 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -81.87 134.88 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.0 mt-10 -95.52 -179.56 4.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.695 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 41.7 m-85 -158.87 138.86 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 4.0 ptt180 -147.4 126.51 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.3 tp -102.71 135.81 43.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -124.44 111.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -84.79 110.54 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.639 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 15.8 p90 -120.72 134.15 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -116.37 104.29 11.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.5 91.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.7 OUTLIER 90.41 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.051 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 3.7 m-30 -57.98 127.11 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.96 107.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 81' ' ' VAL . 33.0 p -75.07 167.52 21.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -72.07 153.83 92.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.4 p -40.08 163.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.6 p-10 -37.36 155.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.5 m -88.09 142.45 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -127.55 149.97 49.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.658 ' HB2' HD12 ' A' ' 75' ' ' LEU . 45.2 p30 -151.0 166.92 29.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -143.06 134.0 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.25 141.88 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.402 ' HB ' HD23 ' A' ' 102' ' ' LEU . 12.2 p -126.0 60.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.6 p -113.25 -32.94 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.82 55.57 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -106.02 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t 44.14 76.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.4 178.33 52.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 134.61 18.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t 58.39 164.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.2 121.01 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.61 33.74 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.06 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.46 -105.74 1.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -112.54 165.16 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -131.89 159.92 37.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.05 -40.33 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.09 113.18 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -69.42 142.39 92.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.5 Cg_endo -74.91 168.8 24.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.07 177.81 8.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.3 mtt180 -157.94 -178.58 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 54.04 18.5 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 93' ' ' ASN . 36.2 tp -63.88 103.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 26' ' ' HIS . 9.3 p -125.88 166.13 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -120.86 166.6 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -154.9 92.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG3' HG21 ' A' ' 97' ' ' VAL . 3.4 ttt85 -66.52 97.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.563 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -100.81 -173.68 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -8.06 59.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 144.67 -172.64 25.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.046 HG11 HD12 ' A' ' 70' ' ' LEU . 1.7 m -101.33 114.15 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -81.84 151.35 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 42' ' ' LEU . 20.2 mt -125.58 122.12 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.596 ' HB2' HG12 ' A' ' 15' ' ' VAL . 2.2 m-70 -111.34 119.5 39.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.698 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 33.5 p90 -124.19 173.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -116.82 147.23 39.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.83 25.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -49.69 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.1 mt -76.54 115.73 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -138.86 142.59 34.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.63 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -12.53 21.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -177.17 -86.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -133.56 173.59 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.42 115.25 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.603 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 150.92 149.11 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 49.8 m-85 -97.97 176.16 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.47 104.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.698 ' CD1' HD12 ' A' ' 54' ' ' LEU . 3.1 tm? -87.42 118.66 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt-10 -115.57 170.7 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.548 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -165.24 168.52 39.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 178.89 146.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 7.1 pt20 -116.06 147.18 41.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.0 -121.26 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.29 42.25 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.53 -171.73 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -94.43 140.92 15.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -53.98 118.89 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -107.81 102.2 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.52 105.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.698 HD12 ' CD1' ' A' ' 42' ' ' LEU . 16.2 mt -75.09 -43.75 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -147.01 107.4 3.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.37 111.37 23.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.1 t -125.81 130.9 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.81 132.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.86 -7.84 71.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 p -109.85 -13.11 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.648 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.2 mm-40 -63.64 143.69 57.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.96 8.32 11.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -169.73 173.11 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp -165.61 152.03 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.6 tp -97.65 143.71 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.826 HG11 ' HE1' ' A' ' 78' ' ' PHE . 49.5 t -143.12 78.33 15.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.66 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.902 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -71.45 50.49 1.05 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HG11 ' A' ' 23' ' ' VAL . 12.9 mt -126.14 160.7 29.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.656 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -118.69 -169.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.656 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -115.42 151.03 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 4.9 t70 82.03 -4.63 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.84 167.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.15 95.31 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.872 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -82.23 134.51 35.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 6.3 mt-10 -99.37 -176.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.826 ' HE1' HG11 ' A' ' 67' ' ' VAL . 75.9 m-85 -162.63 149.35 13.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -154.37 129.89 9.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.698 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.1 tp -103.33 138.78 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 89' ' ' SER . 98.6 t -132.16 101.37 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.86 136.68 41.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.2 p90 -143.06 139.52 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.16 121.22 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.34 -94.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 m -118.12 15.58 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 14.5 m-85 -105.02 132.28 51.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.64 129.56 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.917 ' O ' HG13 ' A' ' 81' ' ' VAL . 42.6 p -94.62 164.87 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -70.44 153.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.0 Cg_endo -75.03 102.2 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.468 ' OG ' HD22 ' A' ' 14' ' ' LEU . 69.0 p -39.51 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -35.67 149.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.32 128.85 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.42 140.73 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.562 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.4 p30 -146.28 166.69 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.741 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -124.3 158.62 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -108.99 147.69 31.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -146.55 62.43 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -33.44 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -121.92 15.76 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -80.31 172.58 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.703 ' N ' HD22 ' A' ' 102' ' ' LEU . 22.9 t 38.75 56.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.955 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.6 32.58 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.04 40.28 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 t -127.87 168.91 14.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.06 156.43 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -104.95 104.17 13.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.11 28.23 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.39 -82.32 1.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -111.85 148.35 33.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 113.53 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.968 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.78 17.07 33.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 84' ' ' ALA . 50.1 tp -109.3 116.69 32.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -84.59 154.48 62.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.06 165.46 31.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ASP . 7.4 mtt180 -149.8 173.73 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 49.09 51.7 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.89 117.6 29.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.76 168.9 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.595 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -145.9 119.11 8.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 24' ' ' LEU . 1.2 p -119.66 104.94 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -66.64 140.34 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -141.83 -178.28 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 1.3 7.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -130.3 19.1 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 119.17 -142.52 16.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.731 ' CG1' HD21 ' A' ' 70' ' ' LEU . 1.3 p -134.77 127.1 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.612 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -87.92 102.06 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD23 ' CB ' ' A' ' 16' ' ' ALA . 3.0 mt -89.6 125.52 35.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -116.52 122.01 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.642 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 47.3 p90 -127.47 175.64 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -117.93 147.75 41.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.02 28.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.56 -27.33 62.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.3 mt -96.13 107.01 19.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.1 t -129.53 142.36 45.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.629 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.93 -16.36 20.43 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.563 1.823 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 3.4 tttt 175.91 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' LYS . 13.8 tpt180 -122.36 144.92 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.43 130.39 35.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 4.8 t0 -86.83 -28.24 23.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.45 169.72 12.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 56.5 m-85 -109.88 176.62 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.693 HG23 ' CE2' ' A' ' 83' ' ' PHE . 53.9 t -132.43 106.2 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.726 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -80.86 111.53 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.636 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -114.0 118.71 34.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.14 15.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 22.8 ptt180 179.2 153.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 3.3 pt20 -117.31 153.88 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.06 27.87 2.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m 65.82 32.41 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -69.33 -172.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.13 119.67 18.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 39.7 m95 -49.25 120.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 43' ' ' GLU . 1.1 pt-20 -116.94 136.67 52.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.7 m -84.69 108.76 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 67' ' ' VAL . 55.5 mt -68.41 -36.35 78.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 8.5 t0 -153.0 108.16 2.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.78 9.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.4 104.87 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ALA . 80.7 t -124.88 129.12 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -38.27 131.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.04 -2.01 57.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.6 p -110.68 -27.56 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.627 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 2.4 mm-40 -50.09 150.66 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -126.49 -2.92 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 39.8 mp0 -150.74 167.84 26.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.509 ' CD2' HD12 ' A' ' 42' ' ' LEU . 8.8 tp -157.31 144.54 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.6 126.87 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.815 HG12 ' CD1' ' A' ' 70' ' ' LEU . 76.7 t -117.72 101.48 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.1 Cg_endo -74.99 -11.23 21.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -56.39 -110.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.815 ' CD1' HG12 ' A' ' 67' ' ' VAL . 1.4 mp 45.62 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -146.51 -149.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.589 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -134.9 138.37 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.488 ' C ' HG13 ' A' ' 74' ' ' VAL . 3.7 t0 75.85 36.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ASP . 20.6 m -155.71 151.34 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -103.31 96.86 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.652 ' CE1' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -81.53 124.15 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.3 mt-10 -91.06 179.73 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 23' ' ' VAL . 89.4 m-85 -164.22 134.63 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 9.5 ptt180 -138.65 130.86 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.7 tp -102.46 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 89' ' ' SER . 71.6 t -133.62 102.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.89 128.23 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.693 ' CE2' HG23 ' A' ' 41' ' ' VAL . 31.6 p90 -130.51 144.69 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -127.59 104.91 8.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 29.01 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER 86.16 -59.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -57.96 127.61 32.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -124.15 118.74 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.892 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.4 p -76.26 166.88 22.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 54.7 m-20 -72.89 155.67 90.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.624 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.02 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 11' ' ' PRO . 16.7 p -45.02 167.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 14' ' ' LEU . 6.8 p-10 -38.44 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -88.1 130.98 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -102.23 147.26 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.721 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.7 p30 -142.23 141.48 32.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.756 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -127.13 154.63 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 45.0 t -106.24 141.18 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' HD13 ' A' ' 102' ' ' LEU . 3.2 p -129.4 8.69 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 p -104.83 -23.17 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.43 35.08 4.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.41 HD22 ' NH2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -91.73 172.98 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t 46.92 69.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.29 108.5 0.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 t -171.55 117.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.6 p -131.18 140.04 49.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.36 110.34 15.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -121.31 35.23 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.35 72.45 0.25 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -178.13 168.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t 60.83 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.23 58.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HD2' ' A' ' 34' ' ' PRO . 42.9 tp -89.21 125.83 35.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -84.42 137.6 39.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -145.0 169.44 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.57 41.91 82.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.3 OUTLIER -84.29 109.01 17.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.0 m -129.6 168.2 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.9 109.1 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.545 HG11 ' CE1' ' A' ' 26' ' ' HIS . 3.8 p -101.46 116.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.48 121.55 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.456 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.6 p -118.66 165.89 15.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -117.62 -9.62 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.0 -138.8 6.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.843 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.7 t -129.16 115.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.597 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -89.8 114.51 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -92.72 111.61 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.597 ' NE2' ' HB3' ' A' ' 24' ' ' LEU . 6.3 m170 -97.85 125.48 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.554 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.2 p90 -135.67 177.48 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -123.03 154.02 64.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.45 35.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 124.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.12 -36.15 48.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -98.66 90.28 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.596 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.97 148.95 58.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.04 -33.43 4.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 33' ' ' VAL . 2.5 mttm -149.23 -106.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -124.9 151.13 45.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 102.63 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 5.9 t70 -62.62 -36.24 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 163.2 151.51 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.621 ' OH ' HD23 ' A' ' 37' ' ' LEU . 93.0 m-85 -96.86 174.76 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.812 HG12 ' OE1' ' A' ' 43' ' ' GLU . 72.6 t -137.29 106.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.023 HD12 ' HB2' ' A' ' 54' ' ' LEU . 3.4 tm? -83.17 129.46 35.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.812 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.31 122.46 26.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -127.56 177.18 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 5.3 ptt180 177.72 146.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.2 pt20 -114.52 153.81 29.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.78 -119.45 16.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.578 1.173 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.78 34.32 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -173.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.15 140.34 15.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.451 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 59.9 m95 -56.29 130.01 42.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' C ' ' HG3' ' A' ' 43' ' ' GLU . 5.1 pt-20 -131.9 137.12 47.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.5 m -79.38 113.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.023 ' HB2' HD12 ' A' ' 42' ' ' LEU . 11.6 mt -76.33 -20.48 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' A' ' 58' ' ' VAL . 16.1 t0 -165.63 105.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.02 -43.62 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.69 108.35 19.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG22 ' OD2' ' A' ' 55' ' ' ASP . 40.3 t -126.73 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.27 124.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -5.66 44.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.8 p -105.21 -9.57 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.383 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.43 156.38 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -133.61 5.03 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.1 mp0 -152.01 167.29 28.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.671 HD23 ' HG ' ' A' ' 42' ' ' LEU . 9.4 tp -162.7 152.76 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -110.27 143.8 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 54' ' ' LEU . 57.8 t -137.29 85.32 21.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.93 13.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -41.77 -35.88 1.59 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 67' ' ' VAL . 6.0 mp -39.0 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 72' ' ' LYS . 2.4 mm -103.67 -124.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.848 ' O ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -135.99 -91.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.539 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -66.2 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.3 m -158.05 164.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -121.25 92.45 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.1 m-85 -83.95 130.93 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 8.3 mt-10 -93.36 -176.85 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CE2' HG11 ' A' ' 23' ' ' VAL . 75.5 m-85 -160.09 147.85 16.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 11.2 ptt180 -159.78 124.85 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.914 HD13 HD23 ' A' ' 42' ' ' LEU . 3.3 tp -101.01 142.02 33.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 89' ' ' SER . 62.1 t -131.73 103.92 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.13 126.31 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -132.28 135.54 46.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 157.4 34.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 32.46 -96.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -126.66 22.65 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.958 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-85 -110.95 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.06 116.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.935 ' O ' HG13 ' A' ' 81' ' ' VAL . 12.9 p -79.79 163.6 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 48.5 m-20 -70.52 156.38 92.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.632 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' ASN . 34.0 p -40.62 163.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.7 p-10 -36.52 151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -89.21 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -128.9 150.98 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.3 p30 -151.14 167.75 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.69 158.67 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 t -113.33 132.22 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -130.16 81.32 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.95 -33.94 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.28 61.93 0.47 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.99 172.94 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -59.96 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 41.34 -145.95 0.53 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 57.87 4.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.84 102.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -56.84 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -85.01 152.2 23.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.37 37.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.49 178.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -104.02 51.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -52.09 136.4 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.6 26.27 2.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 45.3 tp -111.92 117.49 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -85.45 150.62 54.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -152.54 -177.45 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.51 41.16 6.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 27' ' ' TRP . 66.5 tp -88.23 122.2 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.3 m -142.53 168.11 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.84 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -133.45 113.02 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.812 HG11 ' CE1' ' A' ' 26' ' ' HIS . 2.2 p -103.31 111.4 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' CZ ' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.53 124.74 24.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.82 177.02 2.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.469 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.03 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -73.83 -7.84 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.94 -136.85 7.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.97 HG21 HD23 ' A' ' 70' ' ' LEU . 8.5 t -127.91 127.6 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -104.59 121.06 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.748 ' CD1' HD21 ' A' ' 42' ' ' LEU . 6.5 mt -100.53 127.01 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.812 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.7 m170 -113.33 116.3 29.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.725 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.2 p90 -124.0 177.63 5.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -124.05 147.57 54.65 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 149.58 36.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.94 140.78 26.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.762 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -47.61 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 32' ' ' LEU . 3.3 mt -84.41 115.01 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.5 t -132.85 144.12 51.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.733 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -15.71 20.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.48 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.65 138.18 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -70.58 131.4 43.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -86.92 -26.66 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.42 156.35 7.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' HD22 ' A' ' 37' ' ' LEU . 23.9 m-85 -98.2 177.94 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 81' ' ' VAL . 1.1 p -133.75 111.36 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD21 ' CD1' ' A' ' 25' ' ' LEU . 18.0 tp -80.26 120.76 24.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -124.81 111.27 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.7 177.5 18.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 30.0 ptt180 -178.57 153.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mt-30 -87.08 179.79 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -38.87 114.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' GLY . 3.8 t 37.64 53.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -108.92 -172.41 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.05 138.85 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 63.1 m95 -65.91 111.06 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 54' ' ' LEU . 13.4 pt-20 -101.19 130.3 47.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.26 100.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HG ' ' A' ' 42' ' ' LEU . 59.7 mt -68.42 -49.82 57.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.89 105.35 0.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.99 -19.83 17.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.407 1.74 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.05 98.22 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 44.6 t -125.76 130.32 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.33 124.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -7.99 46.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.2 p -107.88 -18.47 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.698 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 2.3 mm-40 -57.67 160.18 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 p -136.97 9.62 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -170.89 172.18 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD23 ' CD2' ' A' ' 42' ' ' LEU . 9.6 tp -166.28 155.02 10.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 13.6 tp -93.8 139.61 30.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -134.62 65.25 66.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.0 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -7.02 86.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.63 159.88 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.654 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.1 mm -103.96 171.6 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -108.57 142.68 38.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 2.2 t70 82.68 18.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.654 HG21 ' HB ' ' A' ' 71' ' ' ILE . 18.4 m -138.42 179.5 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.031 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -125.55 94.79 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.4 m-85 -81.97 120.27 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 5.0 mt-10 -88.76 179.89 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.628 ' HZ ' HD21 ' A' ' 70' ' ' LEU . 93.5 m-85 -161.77 157.35 24.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.3 ptt180 -162.44 126.51 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.725 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -100.86 141.74 33.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -129.53 105.98 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.51 111.07 9.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 11.6 p90 -124.57 138.77 54.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -131.27 119.95 22.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.05 -98.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -111.07 0.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.954 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' ALA . 39.1 m-85 -93.35 118.56 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.01 110.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.4 p -76.96 166.85 22.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 46.1 m-20 -73.04 154.11 90.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -75.05 110.71 3.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.9 p -43.65 173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -44.46 173.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 1.5 m -103.6 127.83 50.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.2 124.06 47.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 1.031 ' HB2' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -107.53 146.61 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.863 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -117.91 143.44 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -110.81 142.03 43.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -149.8 80.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 t -115.16 -33.24 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.06 -32.78 47.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 18' ' ' ARG . 5.9 mp -66.2 161.12 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.442 ' CB ' ' HD3' ' A' ' 72' ' ' LYS . 0.3 OUTLIER 38.8 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.62 165.72 11.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.08 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -159.67 158.21 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 t -159.48 145.04 15.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.157 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 22.2 tp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -81.63 145.59 54.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 171.43 18.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 176.6 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.9 mtt180 -151.28 173.7 14.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.97 42.44 54.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.18 115.46 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 26' ' ' HIS . 2.7 m -133.94 167.36 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -136.23 119.46 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 24' ' ' LEU . 3.9 p -111.44 110.12 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -66.91 125.39 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.64 174.57 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.22 3.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -80.73 -12.53 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.25 -141.9 8.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.083 HG21 HD12 ' A' ' 70' ' ' LEU . 35.4 t -128.88 119.93 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -93.65 134.74 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.774 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.6 mt -116.89 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 13' ' ' GLY . 2.4 m170 -115.14 126.38 54.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 25.8 p90 -135.34 177.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -121.34 147.77 48.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HG2' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 107.75 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -32.47 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.2 mt -90.63 110.23 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.725 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -135.42 143.76 46.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -15.31 20.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 10.9 ttpt 177.94 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 17.7 ttm180 -125.76 146.12 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 ' HA2' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -81.79 134.75 35.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -31.65 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 145.64 157.18 7.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 46.5 m-85 -97.37 179.33 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -137.36 113.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 25' ' ' LEU . 30.1 tp -84.95 119.31 25.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 2.4 mt-10 -123.68 115.4 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.33 -179.02 15.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CZ ' ' CE2' ' A' ' 51' ' ' TRP . 28.0 ptt180 177.44 154.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.74 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 48.7 mt-30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CE2' ' CZ ' ' A' ' 45' ' ' ARG . 60.9 m95 -57.99 105.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.71 129.05 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG12 ' HD3' ' A' ' 56' ' ' PRO . 44.6 t -75.09 99.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.68 HD13 HG11 ' A' ' 67' ' ' VAL . 49.7 mt -64.48 -45.84 85.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.75 103.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.97 -20.88 16.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.55 97.69 7.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ALA . 93.3 t -126.18 130.15 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.22 131.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.559 ' HA2' HD22 ' A' ' 37' ' ' LEU . . . -74.1 -1.0 58.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.2 p -114.59 -19.67 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -57.52 149.14 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 p -121.04 4.91 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.79 173.09 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.726 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.7 tp -165.43 153.07 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.2 tp -100.27 139.69 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 54' ' ' LEU . 54.2 t -140.41 82.79 15.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.03 18.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.565 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.5 50.3 2.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 23' ' ' VAL . 3.1 mt -112.81 159.14 19.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.788 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.6 mm -111.42 152.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 160.28 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.83 9.74 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.788 HG21 ' HB ' ' A' ' 71' ' ' ILE . 31.4 m -131.99 174.63 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -127.35 98.34 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -80.42 131.24 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.7 mt-10 -91.49 -178.2 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.923 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 72.0 m-85 -161.76 154.75 20.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 14.5 ptt180 -163.37 122.59 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -104.85 132.32 51.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -131.37 107.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -72.75 147.53 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.712 ' CB ' HG12 ' A' ' 88' ' ' VAL . 16.8 p90 -150.89 141.64 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -117.66 107.7 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.04 -113.03 1.26 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.86 58.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 0.804 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -84.32 148.47 26.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.2 m -140.53 161.54 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.0 p -124.16 160.24 28.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 4.2 m-20 -69.26 154.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.549 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.98 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.763 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 80' ' ' LEU . 53.0 p -41.22 165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -37.08 154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 12.7 m -80.84 138.87 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -110.24 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.443 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -114.48 145.16 42.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -120.15 147.87 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 83' ' ' PHE . 57.4 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -80.29 148.6 67.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.96 169.44 22.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.96 176.3 10.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.84 179.89 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.33 50.17 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.9 tp -94.56 127.39 40.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.9 m -144.53 167.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.767 HG11 ' CE1' ' A' ' 26' ' ' HIS . 1.5 p -107.74 117.02 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.84 135.9 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -134.23 178.53 1.72 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.03 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -9.15 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 145.91 -144.85 13.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' VAL . 42.2 t -117.66 139.87 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.797 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -115.64 127.71 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 78' ' ' PHE . 7.2 mt -108.74 127.18 53.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.767 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.3 m170 -113.54 113.06 24.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.794 ' HB3' HD13 ' A' ' 14' ' ' LEU . 30.8 p90 -120.14 177.39 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -123.51 147.42 52.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.93 36.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 128.09 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.75 -36.74 70.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 32' ' ' LEU . 5.8 mt -93.42 111.72 23.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -129.12 142.35 44.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.97 -15.04 21.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt 174.2 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.71 150.3 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -88.54 133.21 34.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.0 -30.35 16.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 147.67 165.6 12.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.577 1.173 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.666 ' CE1' HD22 ' A' ' 37' ' ' LEU . 31.3 m-85 -106.88 177.79 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.691 HG23 ' CE2' ' A' ' 83' ' ' PHE . 79.3 t -131.14 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -87.98 114.68 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.549 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mt-10 -119.25 128.37 54.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.68 178.96 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 18.3 ptt180 176.16 153.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 4.6 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.422 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 96.5 m95 -65.38 105.2 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.8 pt-20 -95.09 107.0 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.01 104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' A' ' 42' ' ' LEU . 66.5 mt -75.66 -45.56 36.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.13 106.03 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -43.09 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 107.65 19.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.5 t -126.34 129.44 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -36.63 131.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -3.44 55.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.9 p -114.21 -25.29 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 2.8 mm-40 -50.9 141.16 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -115.74 7.58 14.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -169.88 172.16 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -162.79 152.43 15.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 23' ' ' VAL . 16.8 tp -91.69 141.68 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.988 HG23 ' HB ' ' A' ' 23' ' ' VAL . 2.9 m -139.13 70.85 41.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.98 20.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.12 -23.9 60.19 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.977 HD12 HG21 ' A' ' 23' ' ' VAL . 2.5 mt -47.95 174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.2 mt -141.38 -172.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -110.79 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.74 19.58 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.29 165.39 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -125.22 97.32 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.701 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 4.0 m-85 -83.28 139.47 33.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.6 mt-10 -102.27 -176.6 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.83 ' CD2' HD21 ' A' ' 25' ' ' LEU . 46.0 m-85 -159.54 155.68 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 5.7 ptt180 -164.24 122.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.769 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -103.32 139.19 39.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.09 110.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.07 146.63 45.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.8 p90 -152.39 133.53 14.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -117.23 106.62 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 25.09 93.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 m 90.94 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 78.1 m-85 -58.75 123.08 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.41 111.77 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.4 p -78.05 161.27 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 37.5 m-20 -69.28 154.65 94.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.04 110.06 3.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' PRO . 41.5 p -43.28 169.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.473 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 p-10 -39.16 160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -90.63 132.75 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -122.46 144.51 49.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.13 165.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.57 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -126.66 164.96 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' A' ' 34' ' ' PRO . 49.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -82.27 146.59 54.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.04 170.79 19.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.6 mtt180 -154.51 -177.88 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.75 47.46 7.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.0 tp -92.31 127.64 37.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.3 167.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -136.05 122.88 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.3 p -115.64 114.52 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -72.42 123.68 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.44 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -126.24 178.91 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -38.83 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -75.37 -12.28 60.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.15 -138.18 6.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.995 HG21 HD12 ' A' ' 70' ' ' LEU . 91.4 t -131.21 121.59 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -96.85 131.88 43.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HD21 ' A' ' 42' ' ' LEU . 9.9 mt -111.47 131.17 55.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.27 113.54 23.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.553 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.702 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 32.5 p90 -120.35 177.44 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.4 m-20 -120.85 149.79 51.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.0 153.87 42.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 120.99 6.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.65 -27.53 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.2 mt -112.62 102.34 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -131.4 153.93 81.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.02 -38.07 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' H ' HG23 ' A' ' 33' ' ' VAL . 29.6 tttt -148.54 -106.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 39.2 ptt180 -119.06 151.44 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.56 115.19 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.92 -34.44 57.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.587 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.73 153.96 7.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.9 m-85 -100.55 176.87 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' HG13 ' A' ' 81' ' ' VAL . 72.3 t -129.5 106.6 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 65' ' ' LEU . 1.9 tp -84.63 116.26 23.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -120.76 120.58 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -123.1 175.59 16.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.8 ptt180 177.48 150.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.5 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 44.3 m95 -41.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.1 pt-20 -107.38 117.49 34.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.33 118.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 67' ' ' VAL . 52.9 mt -83.79 -36.67 23.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -156.95 106.74 1.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 107.19 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ALA . 77.0 t -125.74 132.1 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.96 125.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.49 -5.88 56.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.9 p -112.74 1.55 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.586 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -79.99 159.57 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -133.32 7.4 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.14 171.38 9.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 42' ' ' LEU . 12.4 tp -166.45 153.94 9.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -98.88 135.23 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 54' ' ' LEU . 71.3 t -131.73 83.68 56.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.65 49.89 2.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.995 HD12 HG21 ' A' ' 23' ' ' VAL . 2.8 mt -113.46 159.39 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.737 ' HB ' HG21 ' A' ' 74' ' ' VAL . 3.7 mm -116.72 169.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -102.33 152.36 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.04 17.18 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.737 HG21 ' HB ' ' A' ' 71' ' ' ILE . 11.9 m -132.1 169.07 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -123.87 94.8 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.64 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.6 m-85 -81.67 126.76 32.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.7 mt-10 -91.7 -177.13 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.739 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 86.3 m-85 -162.66 136.81 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.2 ptt180 -144.49 122.64 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.7 tp -102.2 141.05 35.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.18 109.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.23 141.81 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -145.89 139.38 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.054 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 105.99 10.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 26.7 93.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.4 t 87.76 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 94.1 m-85 -58.06 117.46 4.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -116.99 113.16 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.1 p -76.29 160.01 30.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 51.1 m-20 -68.53 154.88 93.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 93' ' ' ASN . 26.8 p -45.51 173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -43.5 168.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -102.08 133.3 47.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.8 150.17 44.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.773 ' HB2' HD12 ' A' ' 75' ' ' LEU . 24.9 p30 -150.37 166.69 29.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.6 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -133.37 134.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -79.32 150.95 74.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.94 170.61 20.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.97 176.09 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.36 -175.49 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.7 46.02 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -87.94 126.02 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m -149.16 168.51 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -133.86 153.03 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.9 p -148.08 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 135.17 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.59 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.2 p -138.73 -172.75 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.96 -31.05 6.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.64 ' O ' HD21 ' A' ' 66' ' ' LEU . 25.2 mtt180 -91.64 -4.67 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' THR . . . 134.77 -167.63 23.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.041 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.16 120.31 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -89.76 131.03 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 16' ' ' ALA . 8.6 mt -107.38 127.47 53.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -113.82 122.6 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 35.4 p90 -128.73 177.4 7.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -122.2 150.54 57.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.0 149.79 37.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -58.63 -20.59 48.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.4 mt -108.46 108.23 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.9 t -129.64 142.35 45.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.638 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.05 -13.27 21.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 172.3 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 145.18 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -83.24 133.07 35.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.89 -33.66 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 154.68 170.61 20.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' HD22 ' A' ' 37' ' ' LEU . 85.8 m-85 -112.34 176.97 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.15 105.45 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 65' ' ' LEU . 29.1 tp -87.2 118.72 26.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -121.64 127.52 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.78 177.77 16.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 21.1 ptt180 176.49 153.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.713 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.5 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' ' NH1' ' A' ' 79' ' ' ARG . 57.7 m95 -55.23 125.06 19.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.6 pt-20 -116.67 125.93 52.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.2 112.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 67' ' ' VAL . 80.7 mt -78.7 -52.33 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -142.22 106.31 5.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.91 105.48 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ALA . 60.9 t -126.23 126.43 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -36.56 128.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.6 -3.04 39.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.9 p -109.11 -22.29 12.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 0.806 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.821 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -58.15 151.52 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -124.52 -11.15 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 mp0 -147.17 172.01 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 42' ' ' LEU . 12.5 tp -164.2 154.31 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.64 HD21 ' O ' ' A' ' 21' ' ' ARG . 4.5 tp -101.9 138.49 38.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 54' ' ' LEU . 53.6 t -140.29 80.41 19.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.36 20.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -73.13 53.15 1.78 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.041 HD12 HG11 ' A' ' 23' ' ' VAL . 3.9 mt -115.1 159.1 21.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.842 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.9 mm -113.34 156.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.66 157.22 16.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t0 66.97 16.78 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.842 HG21 ' HB ' ' A' ' 71' ' ' ILE . 33.9 m -133.9 173.79 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.13 94.21 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.5 m-85 -81.08 122.03 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -89.87 174.61 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.74 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 73.6 m-85 -152.87 160.7 43.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.618 ' NH1' ' CE2' ' A' ' 51' ' ' TRP . 2.4 ptm180 -165.78 133.58 2.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.7 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.4 tp -115.44 137.67 51.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.581 HG12 ' HB3' ' A' ' 91' ' ' PRO . 2.0 m -136.39 112.65 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.71 141.39 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 39' ' ' GLY . 22.0 p90 -144.29 128.77 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.2 107.68 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.31 -111.11 3.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 -8.03 49.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -86.75 131.41 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.4 120.71 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 82' ' ' ALA . 9.3 p -84.73 162.36 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.9 OUTLIER -72.32 156.61 90.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 111.03 3.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 14' ' ' LEU . 61.5 p -45.54 172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.9 p-10 -39.68 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -94.68 128.24 41.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.86 149.46 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 35.4 p30 -151.17 167.66 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.547 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -124.01 166.65 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.028 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.407 ' HB2' ' HG3' ' A' ' 34' ' ' PRO . 41.6 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 3.7 m -79.56 152.06 75.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.01 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.04 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.8 mtt180 -156.05 179.53 9.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 56.23 15.13 9.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -56.99 98.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.7 p -125.64 168.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -132.86 164.51 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 24' ' ' LEU . 4.5 p -159.91 102.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' C ' ' CG2' ' A' ' 19' ' ' THR . 2.4 ttt-85 -64.79 148.1 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.49 -177.65 0.77 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.97 -35.32 3.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -84.15 -20.18 32.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 19' ' ' THR . . . 144.94 164.69 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.23 117.05 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -88.27 132.08 34.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.73 ' CD1' HD21 ' A' ' 42' ' ' LEU . 11.2 mt -106.68 128.84 54.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . 6.4 m170 -113.96 129.39 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.713 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -136.12 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -121.08 149.64 51.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.14 33.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.27 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.49 -18.76 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.5 mp -107.16 96.16 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -120.36 145.37 40.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.83 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.98 -16.16 20.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt 177.22 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 150.93 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -89.0 129.78 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.4 t0 -87.55 -29.64 21.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.84 170.35 17.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.705 ' CE1' HD22 ' A' ' 37' ' ' LEU . 76.8 m-85 -111.67 177.49 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' CE2' ' A' ' 83' ' ' PHE . 64.9 t -133.31 105.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 65' ' ' LEU . 4.2 tp -84.32 120.61 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.2 mt-10 -125.85 124.83 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.554 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.61 177.32 17.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 6.0 ptt180 178.15 147.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.433 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 85.6 m95 -57.32 111.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.7 pt-20 -103.93 114.77 29.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.25 117.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 67' ' ' VAL . 24.4 mt -86.15 -35.29 20.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.504 ' OD2' HG22 ' A' ' 58' ' ' VAL . 35.6 t0 -159.5 106.35 1.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.429 1.752 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.66 106.52 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' OD2' ' A' ' 55' ' ' ASP . 61.0 t -126.04 128.88 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.31 128.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.29 -8.99 63.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.5 p -108.08 -13.63 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -60.68 157.45 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -133.81 10.79 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.593 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -175.19 168.07 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 42' ' ' LEU . 16.3 tp -161.55 154.15 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 tp -99.16 132.09 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 54' ' ' LEU . 77.0 t -129.59 81.91 68.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -8.26 19.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.563 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.26 50.24 2.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.042 HD12 HG11 ' A' ' 23' ' ' VAL . 2.4 mt -113.01 161.97 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.2 mm -118.97 160.42 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.27 7.87 5.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.724 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.3 m -125.96 173.3 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.83 94.27 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.642 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.81 126.72 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.45 -177.97 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.751 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 65.7 m-85 -160.41 143.93 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.4 ptt180 -152.46 125.05 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.713 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.4 tp -101.59 136.81 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 89' ' ' SER . 43.1 t -129.42 105.3 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.96 135.31 41.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 19.9 p90 -139.5 141.83 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.21 104.06 8.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.25 90.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 t 91.04 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 5.3 m-30 -57.44 138.05 55.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -133.6 130.38 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 81' ' ' VAL . 59.9 p -93.77 166.38 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -70.73 155.51 93.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.571 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 103.32 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' ASN . 65.7 p -40.52 162.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.687 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.03 151.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.4 m -84.49 149.87 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -139.13 141.25 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 75' ' ' LEU . 53.8 p30 -145.86 155.81 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.501 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.99 142.85 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 27.3 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -79.56 150.31 72.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 164.84 32.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.98 13.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.5 mtt180 -150.42 -168.2 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.75 34.54 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -77.93 127.74 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.4 m -152.0 168.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.708 ' CB ' HG12 ' A' ' 97' ' ' VAL . . . -128.78 168.72 15.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 17' ' ' VAL . 9.0 p -162.39 108.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 129.15 39.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -132.44 -174.93 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 -37.14 2.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD21 ' A' ' 66' ' ' LEU . 13.0 mtt180 -85.12 -7.23 59.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 142.67 -161.77 27.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.2 m -113.85 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -82.55 148.97 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 mt -124.74 110.98 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.1 m170 -98.0 129.5 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.716 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 19.0 p90 -136.54 178.61 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -119.54 146.4 41.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.42 31.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.783 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.83 -33.55 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -91.65 113.96 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.8 t -135.37 143.22 44.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.685 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -11.46 21.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.801 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 6.9 mtmt 168.38 -85.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.61 156.34 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -91.31 133.77 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -92.17 -23.93 19.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 141.15 166.13 10.61 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.73 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 90.6 m-85 -108.2 176.86 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' CE2' ' A' ' 83' ' ' PHE . 74.6 t -131.81 104.89 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -85.59 114.63 22.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.517 ' CD ' HG22 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -121.82 121.51 37.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -122.44 177.66 16.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 22.1 ptt180 -178.61 148.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 10.5 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 87.9 m95 -51.64 113.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -101.99 118.55 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 43' ' ' GLU . 73.4 t -59.36 105.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 42' ' ' LEU . 47.2 mt -78.19 -52.42 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -142.64 105.02 5.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.99 107.69 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 59' ' ' ALA . 10.3 t -125.97 130.38 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.78 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -34.34 122.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.12 56.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.9 p -109.71 -8.98 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.78 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.2 158.67 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.446 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -135.51 7.49 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 55.7 mp0 -152.26 168.63 24.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -167.07 144.76 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.8 tp -113.57 135.94 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.779 HG12 ' CD2' ' A' ' 70' ' ' LEU . 72.4 t -129.44 91.0 42.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.57 21.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.57 53.05 2.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.779 ' CD2' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -110.31 158.08 18.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.869 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -102.6 170.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.79 -126.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.513 ' C ' HG13 ' A' ' 74' ' ' VAL . 10.9 t0 -56.22 85.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.869 HG21 ' HB ' ' A' ' 71' ' ' ILE . 10.6 m -156.87 169.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.58 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -125.95 92.56 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CB ' HD13 ' A' ' 70' ' ' LEU . 3.1 m-85 -83.04 128.71 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 6.4 mt-10 -91.3 178.31 6.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 25' ' ' LEU . 66.7 m-85 -161.62 138.78 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.98 126.29 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.2 tp -102.79 135.97 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.975 HG13 ' O ' ' A' ' 89' ' ' SER . 37.4 t -129.93 103.45 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.73 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.1 127.86 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 41' ' ' VAL . 25.0 p90 -132.28 142.9 49.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HD22 ' A' ' 8' ' ' LEU . . . -127.64 108.87 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.36 -98.31 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.24 5.62 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.22 132.24 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' A' ' 81' ' ' VAL . 11.4 t -122.05 124.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.975 ' O ' HG13 ' A' ' 81' ' ' VAL . 32.6 p -86.77 166.96 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -71.48 152.75 93.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.542 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.893 ' OG ' HD12 ' A' ' 14' ' ' LEU . 76.2 p -39.39 162.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 92' ' ' SER . 1.5 p-10 -35.35 151.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -84.47 133.44 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -118.78 146.64 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.58 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -150.66 162.72 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.708 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.51 137.23 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 30.4 tp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -86.44 145.54 40.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.06 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 171.29 18.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -142.78 176.38 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.11 43.07 24.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.5 tm? -82.66 129.33 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 ' N ' HD13 ' A' ' 14' ' ' LEU . 3.7 m -150.07 167.96 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -137.32 125.72 23.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -113.97 121.5 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -74.85 119.06 18.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -115.59 171.92 4.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.73 20.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 -26.75 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.4 -142.29 6.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.044 HG21 HD12 ' A' ' 70' ' ' LEU . 45.2 t -130.87 112.36 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.1 tp -87.69 127.82 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 42' ' ' LEU . 7.5 mt -103.77 132.48 49.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.8 m170 -115.98 117.36 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.558 ' HB3' HD23 ' A' ' 14' ' ' LEU . 23.2 p90 -130.89 177.62 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -120.92 149.45 50.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -75.03 141.4 26.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.01 113.28 3.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -37.73 87.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.7 mt -84.25 98.68 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.612 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -127.27 142.3 43.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.612 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 -12.49 21.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -126.33 174.75 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -98.75 105.7 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -33.14 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 58' ' ' VAL . . . 148.63 163.7 11.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.742 ' CD2' HD13 ' A' ' 80' ' ' LEU . 7.0 m-85 -109.15 179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' CE2' ' A' ' 83' ' ' PHE . 55.6 t -132.02 104.14 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 25' ' ' LEU . 1.5 tm? -84.31 115.36 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -110.4 171.01 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.665 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -169.84 170.48 42.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 7.8 ptt180 178.57 147.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 3.8 pm0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 93.1 m95 -65.28 138.66 58.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' HD23 ' A' ' 54' ' ' LEU . 7.2 pt-20 -128.64 109.99 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.34 100.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.781 HD13 HG11 ' A' ' 67' ' ' VAL . 21.6 mt -68.94 -40.01 79.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.16 106.8 2.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.13 107.83 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 58.3 t -125.77 131.16 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.17 127.75 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -9.07 61.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -112.05 -8.49 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.442 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.743 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.47 149.06 50.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -123.23 8.67 9.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -169.42 173.67 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.7 tp -165.1 154.07 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.8 tp -101.93 140.26 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 54' ' ' LEU . 35.7 t -142.7 81.87 12.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -10.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.654 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -69.77 53.06 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HG21 ' A' ' 23' ' ' VAL . 5.9 mt -117.14 160.25 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.664 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.4 mm -115.45 163.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -99.07 159.98 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.69 6.69 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG21 ' HB ' ' A' ' 71' ' ' ILE . 32.3 m -129.02 174.9 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.77 96.51 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 70' ' ' LEU . 1.8 m-85 -81.04 127.28 32.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.94 179.47 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.647 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -155.8 159.11 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.498 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 4.5 ptt180 -164.87 129.06 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.742 HD13 ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -102.64 133.44 47.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 89' ' ' SER . 41.1 t -127.53 98.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -73.83 144.06 45.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.689 ' CB ' HG12 ' A' ' 88' ' ' VAL . 18.8 p90 -148.37 143.9 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.69 107.59 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.15 4.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -1.71 57.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 8.4 m-30 -99.11 149.44 23.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.689 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.4 m -139.64 161.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.855 ' O ' HG13 ' A' ' 81' ' ' VAL . 27.1 p -120.45 165.08 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 34.4 m-20 -68.94 158.41 86.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.574 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' ASN . 26.2 p -40.25 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -35.94 152.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 3.1 m -88.3 138.35 31.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -129.56 150.55 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.645 ' HB2' HD12 ' A' ' 75' ' ' LEU . 52.7 p30 -149.56 163.05 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG11 HG13 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -129.04 133.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 57.5 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.78 148.43 51.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.5 Cg_endo -74.96 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.4 mtt180 -152.34 174.34 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 61.11 11.1 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -54.16 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.2 p -125.48 168.47 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.649 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -131.17 163.73 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 24' ' ' LEU . 3.5 p -156.83 104.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.547 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -65.87 145.33 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.34 -177.1 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -37.77 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -18.7 48.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 19' ' ' THR . . . 142.41 166.3 10.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.24 114.79 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.745 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -86.43 137.77 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.649 HD23 ' CB ' ' A' ' 16' ' ' ALA . 10.9 mt -111.43 134.97 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.619 ' HB2' HG12 ' A' ' 15' ' ' VAL . 3.3 m170 -120.2 128.6 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.577 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.707 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.9 p90 -136.21 177.89 7.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -124.53 153.73 69.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 152.29 40.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' HG3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.99 123.22 7.73 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.54 -19.22 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -113.11 81.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.79 150.65 44.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -75.03 -33.94 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 13.8 mtmt -161.02 -104.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -113.41 147.93 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -82.67 121.03 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -20.2 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.637 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 143.21 159.48 7.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 37' ' ' LEU . 84.9 m-85 -102.04 176.8 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.98 HG12 ' OE1' ' A' ' 43' ' ' GLU . 62.5 t -131.23 104.04 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 54' ' ' LEU . 2.7 tm? -85.45 118.94 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.98 ' OE1' HG12 ' A' ' 41' ' ' VAL . 1.6 mp0 -112.26 173.07 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.71 167.5 40.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 20.4 ptt180 -176.53 150.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.717 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 42.1 mt-30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -73.16 112.04 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.2 pt-20 -107.2 114.88 29.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.573 HG22 ' OE2' ' A' ' 43' ' ' GLU . 82.4 t -57.4 107.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 42' ' ' LEU . 31.5 mt -77.13 -42.84 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.86 106.95 2.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.33 104.26 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.3 t -126.5 121.86 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -32.56 128.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.42 52.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.7 p -110.88 -17.5 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.581 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 mm-40 -58.1 160.03 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 18.4 p -136.72 9.79 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.591 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.45 169.99 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.672 HD23 ' HG ' ' A' ' 42' ' ' LEU . 4.0 tp -165.37 149.72 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -96.83 142.57 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.702 HG11 HD13 ' A' ' 54' ' ' LEU . 60.0 t -143.19 77.06 16.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.71 20.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.642 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -72.95 53.64 1.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.039 HD12 HG11 ' A' ' 23' ' ' VAL . 6.4 mt -116.79 158.96 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.661 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.3 mm -106.25 171.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.551 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -104.16 149.51 25.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.5 t0 72.8 8.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB ' ' A' ' 71' ' ' ILE . 4.0 m -121.6 170.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.47 94.93 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.721 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.47 133.58 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.0 mt-10 -97.88 -177.66 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.723 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.5 m-85 -161.53 158.89 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.0 ptt180 -165.83 129.94 2.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.707 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 7.0 tp -102.54 145.53 29.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.905 HG13 ' O ' ' A' ' 89' ' ' SER . 49.6 t -138.58 105.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 89' ' ' SER . . . -74.31 136.12 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.2 p90 -145.02 133.07 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -119.51 106.85 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.21 8.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.5 19.1 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.05 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 2.9 m-85 -113.3 140.77 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.63 138.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.905 ' O ' HG13 ' A' ' 81' ' ' VAL . 43.7 p -103.09 166.12 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.36 155.85 92.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.586 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.0 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' ASN . 60.2 p -44.05 167.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.439 HD21 ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.55 147.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -81.19 134.93 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.53 144.52 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.0 p30 -150.94 167.03 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -126.5 166.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 34' ' ' PRO . 53.6 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 56.5 p -86.46 141.25 34.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.99 176.54 9.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -154.31 -175.68 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.36 44.51 5.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 27' ' ' TRP . 59.9 tp -88.71 125.16 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -146.94 169.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -129.56 147.69 51.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 24' ' ' LEU . 1.5 p -142.47 104.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.56 119.76 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.3 p -121.68 -175.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.93 -27.16 10.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.62 ' O ' HD21 ' A' ' 66' ' ' LEU . 1.1 mtt-85 -92.38 -17.91 24.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' THR . . . 150.88 -173.93 30.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 70' ' ' LEU . 1.5 m -97.18 114.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -84.24 128.47 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 42' ' ' LEU . 10.5 mt -107.04 113.97 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 2.2 m170 -100.32 120.84 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.67 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 20.6 p90 -128.66 171.92 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ARG . 2.7 m-20 -116.83 151.4 47.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.0 Cg_endo -75.04 154.65 42.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 114.06 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 2.6 tt0 -65.04 -30.11 71.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.2 mt -111.79 108.52 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.641 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -135.89 148.68 66.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -32.73 5.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 33.1 mttt -150.07 -111.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -117.92 155.63 29.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.61 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -79.23 107.05 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -35.01 75.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.98 155.37 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 64.0 m-85 -100.93 177.53 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.7 t -132.0 106.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 65' ' ' LEU . 2.4 tp -83.91 116.61 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -123.61 119.63 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.94 -178.23 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 12.5 ptt180 179.38 146.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.646 ' OE1' HG21 ' A' ' 74' ' ' VAL . 12.4 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 94.9 m95 -61.43 121.52 12.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.4 pt-20 -110.08 109.43 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.6 t -49.8 104.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 67' ' ' VAL . 36.3 mt -71.45 -47.61 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 2.5 t0 -145.5 106.51 4.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.86 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.41 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' ALA . 94.5 t -125.66 129.09 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.13 124.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.31 -9.22 54.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -105.16 -13.49 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -66.27 146.23 54.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.83 9.23 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -172.45 173.45 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 42' ' ' LEU . 12.7 tp -166.32 154.87 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.7 tp -100.62 139.5 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.574 HG11 ' HE1' ' A' ' 78' ' ' PHE . 69.4 t -130.68 84.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.0 2.54 6.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -79.06 27.04 2.37 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 23' ' ' VAL . 3.0 mt -107.39 160.04 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.612 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -127.46 -155.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -122.52 157.4 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.3 21.37 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.646 HG21 ' OE1' ' A' ' 46' ' ' GLN . 18.6 m -136.81 156.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -117.61 92.93 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.1 m-85 -82.95 126.05 32.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 10.3 mt-10 -90.64 -177.89 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.77 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.3 m-85 -162.75 149.02 12.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 7.2 ptt180 -155.07 122.69 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.4 tp -102.08 140.22 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -137.32 109.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.18 136.94 42.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 10.1 p90 -142.22 134.08 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -116.83 108.13 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.44 -109.53 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.36 -13.96 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' ALA . 64.8 m-85 -86.15 132.6 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.08 142.1 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 5.3 p -109.41 158.53 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.6 m-20 -69.3 156.0 92.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 93' ' ' ASN . 46.5 p -45.98 176.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' SER . 9.6 p-10 -43.89 170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m -101.11 131.81 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -120.85 146.3 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.561 ' HB2' HD12 ' A' ' 75' ' ' LEU . 39.3 p30 -150.11 159.27 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.878 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -116.78 147.19 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 61.2 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.88 148.64 51.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.963 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.07 166.89 28.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.39 29.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -141.12 -179.23 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 50.16 35.05 25.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.036 HD12 ' O ' ' A' ' 93' ' ' ASN . 2.2 tm? -80.42 115.15 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -141.59 168.01 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.92 122.31 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.842 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -112.67 117.54 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' HG23 ' A' ' 97' ' ' VAL . 5.6 tmm_? -69.84 127.59 33.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -130.91 167.49 21.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.7 -13.32 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.2 -135.53 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.9 t -131.69 122.96 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' CD ' ' A' ' 64' ' ' GLU . 5.0 tp -97.1 102.94 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -81.21 110.61 16.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.842 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.5 m170 -98.38 125.13 43.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.777 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.4 p90 -136.03 178.72 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -125.02 152.84 71.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -75.02 152.25 40.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.99 116.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.39 -10.06 59.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' LEU . 8.8 mt -124.99 93.46 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.51 151.05 62.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.4 mtmt -158.29 -104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.3 149.06 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD22 ' CZ ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.52 129.7 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.29 -20.2 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 132.7 159.2 9.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.726 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 12.1 m-85 -102.4 178.9 4.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.07 106.93 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.811 HD21 HD23 ' A' ' 25' ' ' LEU . 19.9 tp -74.54 119.91 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.3 mt-10 -124.27 113.24 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 177.62 16.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 8.1 ptt180 179.87 148.66 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 3.2 pt20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -57.17 110.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.8 pt-20 -103.02 114.1 28.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 41' ' ' VAL . 61.4 t -61.45 109.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 67' ' ' VAL . 29.3 mt -69.17 -40.51 78.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 105.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.7 t -126.29 133.09 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.29 123.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -67.34 -9.16 54.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.5 p -108.82 -12.79 14.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.681 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -63.4 159.61 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -130.52 3.69 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.686 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -170.67 173.1 5.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.0 tp -166.53 154.14 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 6.7 tp -93.73 142.99 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 54' ' ' LEU . 47.8 t -134.98 82.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.52 21.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -77.04 53.1 3.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.664 ' CD1' HG21 ' A' ' 23' ' ' VAL . 1.5 mt -113.28 159.69 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.797 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -112.37 160.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.16 145.27 26.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 72.46 27.8 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.5 m -141.05 173.82 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.04 94.78 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -80.88 130.38 35.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.54 -177.8 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m-85 -163.54 140.33 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -154.11 127.09 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.777 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.5 tp -102.04 139.96 36.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -124.92 103.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.82 110.08 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 11.5 p90 -121.23 139.95 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -126.55 105.15 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.9 90.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.3 t 89.21 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 88.7 m-85 -57.85 124.54 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -123.5 112.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.562 ' O ' HG12 ' A' ' 81' ' ' VAL . 51.5 p -76.45 168.51 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -72.14 153.02 92.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.08 103.86 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 93' ' ' ASN . 37.5 p -36.76 156.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 1.036 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p-10 -35.67 151.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -81.61 144.38 31.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -135.55 147.62 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.525 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -149.61 165.78 31.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.635 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -134.18 137.66 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.963 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 34' ' ' PRO . 32.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -90.72 145.07 31.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.98 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.01 176.99 9.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -149.66 171.8 16.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.31 56.55 9.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -94.64 118.92 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -130.98 167.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.607 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -144.56 114.05 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.3 p -111.08 107.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -65.64 139.48 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.723 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 60.7 p -137.39 173.81 5.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.723 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -134.25 10.15 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 133.63 -148.19 19.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.902 ' CG1' HD11 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -132.91 124.21 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.47 104.63 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.607 HD23 ' CB ' ' A' ' 16' ' ' ALA . 1.1 mt -88.89 134.8 33.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -121.64 117.67 27.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.784 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -124.97 176.6 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.14 150.67 57.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.12 35.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.539 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.97 121.17 6.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.4 mt -111.73 87.82 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -121.5 149.35 52.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -33.65 4.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.7 mtmt -150.9 -108.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 156.03 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.08 110.02 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -38.71 84.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.78 150.84 5.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 55.8 m-85 -96.7 177.11 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.592 HG13 HG23 ' A' ' 81' ' ' VAL . 1.2 p -134.65 111.72 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.035 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.21 110.47 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.801 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.5 mt-10 -116.44 115.18 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.75 177.61 16.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 6.9 ptt180 177.09 149.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.7 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 67.0 m95 -59.1 111.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.3 pt-20 -100.05 110.06 22.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.801 HG22 ' CG ' ' A' ' 43' ' ' GLU . 94.8 t -62.51 105.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.035 HD12 ' CD1' ' A' ' 42' ' ' LEU . 21.7 mt -64.56 -44.39 90.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -165.42 104.69 0.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HA ' HG23 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.97 -16.63 20.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.98 100.69 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.0 t -126.26 136.87 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.615 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.9 128.16 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.09 -9.71 72.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.0 p -107.88 -8.98 15.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.615 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -71.15 157.89 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.407 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 20.4 p -133.08 6.82 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 pm0 -167.84 164.57 14.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.7 tp -155.63 152.64 28.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 tp -113.47 128.39 56.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.544 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 71.3 t -119.78 105.18 43.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.2 Cg_endo -75.03 -11.69 21.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -54.8 -109.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.902 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.1 mt 46.56 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.615 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.4 mt -149.35 -150.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.615 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -131.52 149.05 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.497 ' C ' HG13 ' A' ' 74' ' ' VAL . 7.1 m-20 62.34 41.18 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.497 HG13 ' C ' ' A' ' 73' ' ' ASP . 19.4 m -156.33 155.48 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -114.28 96.17 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.4 m-85 -81.76 125.47 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.8 mt-10 -90.12 -179.15 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 77.9 m-85 -162.68 146.98 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -151.26 128.94 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.784 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.82 133.5 47.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.758 HG22 ' HB3' ' A' ' 91' ' ' PRO . 0.8 OUTLIER -125.68 105.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -76.61 110.55 11.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.9 p90 -120.39 129.01 53.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -113.27 108.0 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.89 -112.9 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.158 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -26.34 53.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.808 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' ALA . 84.0 m-85 -78.22 134.28 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 83' ' ' PHE . 2.2 t -131.62 124.22 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 81' ' ' VAL . 7.0 p -91.26 167.92 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.7 m-20 -78.2 157.13 78.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.758 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 110.26 3.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 35.7 p -44.33 170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 92' ' ' SER . 9.9 p-10 -39.03 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -94.48 134.74 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -104.48 155.85 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -149.9 143.56 25.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.732 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.5 m -128.59 158.1 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 84' ' ' ALA . 45.5 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 m -88.93 145.35 34.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.99 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 179.35 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -149.43 168.7 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.28 71.71 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.6 tp -107.99 114.13 27.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.5 m -127.24 162.84 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 97' ' ' VAL . . . -131.04 109.37 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.6 p -98.05 100.95 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -66.53 127.57 32.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 22' ' ' GLY . 1.5 p -128.39 -177.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -10.48 21.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -112.23 -10.51 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 19' ' ' THR . . . 143.76 -171.69 25.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.047 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -105.5 114.43 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -83.52 110.96 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.011 HD23 HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -79.95 132.15 35.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.539 ' CE1' HG11 ' A' ' 17' ' ' VAL . 5.6 m170 -118.55 108.37 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 34.9 p90 -119.34 171.58 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.017 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.76 151.86 49.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.67 34.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.01 122.18 7.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.04 -12.71 60.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -117.84 83.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.765 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -117.68 151.76 48.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.765 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.97 -34.57 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' H ' HG23 ' A' ' 33' ' ' VAL . 6.5 mttt -162.58 -101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -111.75 146.91 36.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.886 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -79.08 124.01 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.41 -24.24 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.59 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.5 154.88 6.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.886 ' CE1' HD22 ' A' ' 37' ' ' LEU . 43.7 m-85 -96.95 178.26 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 81' ' ' VAL . 1.4 p -139.49 105.94 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD23 ' A' ' 25' ' ' LEU . 16.5 tp -78.73 125.09 28.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.3 mt-10 -127.86 116.91 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.84 -179.19 16.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 11.5 ptt180 174.47 152.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.731 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.773 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 6.3 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 70.8 m95 -63.48 101.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 54' ' ' LEU . 3.7 pt-20 -91.62 117.55 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' HD3' ' A' ' 56' ' ' PRO . 50.0 t -63.28 105.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD13 HG11 ' A' ' 67' ' ' VAL . 8.7 mt -68.74 -52.49 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -157.86 101.75 1.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.0 -19.91 17.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.82 96.0 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' A' ' 59' ' ' ALA . 92.7 t -126.56 120.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -27.21 137.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' LEU . . . -81.0 11.1 44.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.8 p -127.03 0.54 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.826 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.7 mm-40 -76.81 153.05 35.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.15 1.33 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.616 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -167.45 166.94 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.9 tp -161.67 153.12 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.7 tp -99.38 139.35 35.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.821 HG11 HD13 ' A' ' 54' ' ' LEU . 87.2 t -138.08 86.11 18.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.0 -21.33 15.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' PRO . . . -35.91 -43.31 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.047 HD12 HG11 ' A' ' 23' ' ' VAL . 2.5 mt -39.71 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -115.13 -153.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.639 ' H ' HG22 ' A' ' 71' ' ' ILE . 1.1 mtmt -128.2 136.94 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 1.4 t70 83.28 19.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.6 157.53 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -113.3 95.14 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.0 m-85 -84.02 136.49 34.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.0 mt-10 -95.15 179.0 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.934 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 66.4 m-85 -160.32 149.14 17.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 6.0 ptt180 -159.97 128.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -103.15 143.15 32.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -130.61 105.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -77.21 109.83 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 12.7 p90 -120.01 138.22 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -125.86 106.47 9.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 24.5 94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 86.96 -61.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' ALA . 96.8 m-85 -58.15 119.49 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.68 112.03 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 26.9 p -75.95 166.82 22.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.11 155.68 90.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -74.99 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' PRO . 22.0 p -39.56 164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' SER . 7.6 p-10 -37.1 155.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -83.86 136.27 34.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -108.48 125.64 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.512 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -112.43 147.94 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.678 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.32 147.33 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 33' ' ' VAL . 58.1 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -84.5 140.25 38.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 174.41 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.82 17.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -145.79 171.0 15.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 45.5 65.23 2.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 11.0 tp -104.57 115.93 31.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.8 m -131.61 149.57 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . . . -111.48 117.97 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 26' ' ' HIS . 4.1 p -106.96 108.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -66.69 123.48 20.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.425 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.4 p -125.77 169.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -113.34 -13.12 12.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.28 -147.01 16.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.022 HG21 HD12 ' A' ' 70' ' ' LEU . 5.8 t -125.12 118.46 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -96.56 123.64 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.805 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.31 109.17 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.509 ' CE1' HG11 ' A' ' 17' ' ' VAL . 4.3 m170 -92.28 109.03 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.5 p90 -118.01 177.4 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 108.047 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.93 147.96 45.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.15 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.62 -48.76 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.4 mt -77.09 113.75 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -139.05 142.42 33.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.01 -14.39 21.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.8 -88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -135.14 173.46 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.79 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -34.33 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.576 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 157.26 156.08 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.585 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 72.5 m-85 -103.32 176.86 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 0.715 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.85 104.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 67' ' ' VAL . 2.5 tm? -90.02 116.46 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -111.22 170.44 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.54 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -167.77 176.43 42.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 3.2 ptt180 178.23 147.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.629 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 10.9 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -60.59 124.41 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.0 pt-20 -109.64 127.3 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.3 102.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.941 HD13 HG11 ' A' ' 67' ' ' VAL . 28.8 mt -71.47 -48.37 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.655 ' OD2' HD11 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -145.89 102.99 4.17 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.95 -44.99 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 59' ' ' ALA . 34.8 t -127.22 122.68 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -33.34 139.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.64 17.3 35.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -129.34 3.61 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.846 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.1 mm-40 -88.4 162.99 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -132.36 4.01 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.805 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.42 164.81 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.655 HD11 ' OD2' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.42 138.45 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' H ' HD22 ' A' ' 65' ' ' LEU . 3.6 tp -92.85 129.31 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.941 HG11 HD13 ' A' ' 54' ' ' LEU . 79.3 t -131.36 83.28 59.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.09 21.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.572 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -72.62 54.13 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.022 HD12 HG21 ' A' ' 23' ' ' VAL . 2.4 mt -114.71 159.2 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.1 mm -113.97 162.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -98.63 158.73 15.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 67.17 9.65 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.758 HG21 ' HB ' ' A' ' 71' ' ' ILE . 16.5 m -127.38 173.94 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.26 94.16 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.2 m-85 -81.84 125.94 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.53 -178.97 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.86 ' CE2' HG11 ' A' ' 23' ' ' VAL . 54.5 m-85 -157.88 157.13 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -167.54 127.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.7 tp -100.62 149.95 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 89' ' ' SER . 38.5 t -140.28 104.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.57 136.52 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.8 p90 -143.98 134.69 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -122.34 107.17 11.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.56 -116.39 9.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.55 17.0 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 4.6 m-85 -112.39 130.53 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.16 125.48 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.841 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -88.49 161.04 17.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.5 m-20 -68.54 155.55 92.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.683 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 93' ' ' ASN . 28.6 p -43.48 172.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -43.12 171.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.474 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -106.43 129.77 54.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -125.74 151.04 47.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.666 ' CG ' HD11 ' A' ' 75' ' ' LEU . 17.1 p30 -150.96 168.41 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 m -123.39 165.78 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 67.2 p -82.05 141.54 47.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ASP . 2.0 mtt180 -158.98 171.7 19.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 59.52 13.95 25.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 93' ' ' ASN . 17.5 tp -58.49 101.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' A' ' 26' ' ' HIS . 7.3 p -123.1 150.11 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . . . -110.61 147.43 34.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.81 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -141.72 103.04 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 130.08 42.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.46 175.95 3.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.28 9.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -115.77 -16.77 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.73 -153.16 25.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 78' ' ' PHE . 4.2 t -113.45 123.24 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . 4.8 tp -97.84 102.43 14.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -80.68 109.43 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.81 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.7 m170 -96.07 109.22 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -116.89 177.78 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 108.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -122.58 150.81 58.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.73 28.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 111.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.2 tp10 -65.47 -20.71 66.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.1 mp -105.56 92.15 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -120.57 143.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.694 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -15.32 20.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -171.56 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -131.02 170.13 14.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -95.12 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -36.04 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.543 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 157.38 155.83 7.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 84.9 m-85 -102.73 177.03 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.74 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -135.83 106.54 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -89.62 110.77 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.5 mt-10 -112.88 128.96 56.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -129.64 -179.63 16.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.152 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 17.1 ptt180 -179.23 146.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.712 ' OE1' HG21 ' A' ' 74' ' ' VAL . 11.6 pt20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 95.2 m95 -57.06 105.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 3.7 pt-20 -101.01 102.2 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.7 t -41.31 102.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 42' ' ' LEU . 72.7 mt -67.86 -35.62 78.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.5 ' OD2' HG22 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -157.47 106.64 1.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.07 108.77 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' OD2' ' A' ' 55' ' ' ASP . 94.5 t -125.83 127.92 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.05 128.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.44 -4.78 58.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.6 p -111.71 -3.42 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 mm-40 -78.53 140.57 38.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -113.13 2.23 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.632 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -166.37 163.4 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.0 tp -155.42 151.74 28.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 24.9 tp -91.01 148.02 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 54' ' ' LEU . 2.8 t -142.0 82.51 13.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.78 20.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' LEU . . . -49.27 -55.2 13.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -39.11 158.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.68 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -128.62 -172.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -102.37 172.45 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.06 14.12 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.712 HG21 ' OE1' ' A' ' 46' ' ' GLN . 17.1 m -136.56 165.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -124.99 93.1 3.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.906 ' CD1' HD12 ' A' ' 70' ' ' LEU . 1.3 m-85 -83.57 146.09 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 13.0 mt-10 -104.22 -176.84 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.766 ' HE2' HG13 ' A' ' 97' ' ' VAL . 59.6 m-85 -160.11 156.24 26.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.531 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 6.0 ptt180 -166.81 124.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.791 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.1 tp -102.04 136.84 41.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.989 HG13 ' O ' ' A' ' 89' ' ' SER . 33.4 t -128.55 102.29 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.8 129.01 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.2 p90 -136.21 135.77 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -118.71 104.78 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.26 89.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.4 t 90.07 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 85.5 m-85 -57.88 124.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.72 131.0 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.989 ' O ' HG13 ' A' ' 81' ' ' VAL . 24.6 p -96.51 161.06 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 18.7 m-20 -68.48 156.93 89.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.95 101.89 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' PRO . 63.3 p -39.05 163.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.044 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.811 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -33.84 145.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.77 131.06 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -115.63 144.79 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 7.4 p30 -150.91 151.94 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.766 HG13 ' HE2' ' A' ' 78' ' ' PHE . 2.3 m -111.64 167.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD13 ' HD2' ' A' ' 34' ' ' PRO . 39.7 tp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 60.5 p -88.69 138.16 29.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.98 175.87 10.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 8.6 mtt180 -149.64 166.94 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.68 51.47 54.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.52 105.23 17.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -120.14 169.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -141.03 122.09 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -124.04 110.49 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' NH2' ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -72.5 148.09 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -151.16 -174.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -8.69 20.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.925 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.43 17.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 114.02 -148.83 18.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.098 HG13 HG23 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -123.85 127.12 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 26' ' ' HIS . 1.8 tp -93.13 111.46 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.771 HD21 ' CD2' ' A' ' 78' ' ' PHE . 9.0 mt -94.08 113.49 25.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.2 m170 -98.52 128.92 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 16.6 p90 -136.02 170.08 16.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -115.32 149.97 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.07 149.85 36.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 118.35 5.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.79 -19.61 51.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -113.47 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.34 151.59 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.3 mmtt -142.19 -111.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -118.36 151.63 37.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 106.4 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -35.23 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.612 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.25 151.33 6.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.588 1.18 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 62' ' ' GLU . 54.6 m-85 -96.89 177.85 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.505 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.6 t -136.28 107.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.781 HD22 HD23 ' A' ' 65' ' ' LEU . 51.2 tp -85.45 118.93 25.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -122.7 128.71 50.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.649 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -130.91 -179.75 16.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 13.1 ptt180 178.78 146.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.9 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -62.45 137.86 58.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 54' ' ' LEU . 1.9 mt-10 -123.31 124.72 43.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 56' ' ' PRO . 40.1 t -63.59 92.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.649 HD11 ' HA3' ' A' ' 44' ' ' GLY . 8.8 mt -64.72 -37.57 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.4 t0 -157.92 102.81 1.76 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HB3' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.35 108.21 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' OE2' ' A' ' 62' ' ' GLU . 53.3 t -127.06 130.6 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' CG ' ' A' ' 62' ' ' GLU . . . -34.26 150.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.27 -0.54 65.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -122.46 31.93 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.602 ' OE1' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -106.77 167.24 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -140.04 10.71 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.635 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 pt-20 -178.93 166.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD23 HD22 ' A' ' 42' ' ' LEU . 5.6 tp -159.38 154.31 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.925 HD21 ' O ' ' A' ' 21' ' ' ARG . 14.5 tp -91.66 147.27 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.098 HG23 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.8 66.48 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.37 19.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -64.71 -17.82 63.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -44.98 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 0.786 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -117.29 170.51 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -100.21 144.69 28.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HG13 ' A' ' 74' ' ' VAL . 1.8 t0 69.95 36.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 71' ' ' ILE . 15.0 m -153.95 163.06 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -120.9 96.05 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.939 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -83.57 137.46 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 mt-10 -92.81 -177.85 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HD21 ' A' ' 25' ' ' LEU . 44.6 m-85 -158.82 144.29 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.6 ptt180 -155.63 122.29 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.39 136.58 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -135.65 107.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.4 143.62 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.66 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 8.3 p90 -145.26 133.51 21.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -123.03 145.32 48.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.93 -125.85 1.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.59 30.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 4.0 m-85 -119.77 159.77 23.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.02 126.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.0 p -91.64 157.91 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -69.38 154.9 94.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.94 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' ASN . 63.7 p -42.95 167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 12.0 p-10 -37.36 155.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 49.6 m -91.55 144.68 25.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -117.31 160.17 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.57 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -150.62 156.61 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -142.44 166.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' HD2' ' A' ' 34' ' ' PRO . 56.2 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 57.3 p -86.47 140.96 34.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.03 173.45 14.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -148.88 175.35 11.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.6 43.59 53.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -86.07 118.96 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -138.73 169.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -139.98 113.96 8.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.691 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -109.7 108.98 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.51 ' C ' ' CG2' ' A' ' 19' ' ' THR . 3.8 tmm_? -66.9 145.9 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.558 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -155.57 -174.64 0.44 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -38.8 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.809 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.43 -1.44 53.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' THR . . . 123.05 173.03 13.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.009 HG13 HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.88 122.22 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -90.75 110.23 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 78' ' ' PHE . 5.3 mt -87.65 124.94 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.691 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.8 m170 -112.87 125.65 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.683 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -131.97 177.46 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -124.18 150.89 64.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.82 37.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.93 121.54 6.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.2 mt -100.48 89.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -122.96 149.39 56.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' H ' HG23 ' A' ' 33' ' ' VAL . 8.8 mtpp -151.17 -107.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -116.94 152.22 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.72 103.93 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -36.72 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.639 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.36 151.74 5.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.73 ' OH ' HD23 ' A' ' 37' ' ' LEU . 70.2 m-85 -96.47 174.89 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -136.92 106.92 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 54' ' ' LEU . 1.1 tm? -81.12 115.56 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -119.31 123.24 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.87 165.29 18.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLU . 35.8 ptt180 -166.09 156.67 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.611 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.4 mp0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -49.82 110.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.57 130.14 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.82 95.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -65.84 -51.2 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 1.3 t70 -161.16 103.47 1.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.97 -29.19 8.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.24 102.14 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 64.7 t -126.67 121.7 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.885 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -36.86 138.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.73 11.16 54.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -119.33 -1.77 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.885 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.5 mm-40 -84.16 161.27 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.98 8.43 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.6 pm0 -169.48 167.12 10.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.9 tp -153.59 154.55 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.809 HD21 ' O ' ' A' ' 21' ' ' ARG . 12.4 tp -99.91 140.9 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.009 HG23 HG13 ' A' ' 23' ' ' VAL . 2.7 m -142.44 66.52 19.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -7.01 18.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -65.3 -19.12 66.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -41.24 161.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.666 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -109.25 170.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.532 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -106.17 140.43 39.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 82.18 23.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.666 HG21 ' HB ' ' A' ' 71' ' ' ILE . 35.3 m -142.8 171.31 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -124.72 94.88 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -81.87 134.88 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.0 mt-10 -95.52 -179.56 4.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.695 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 41.7 m-85 -158.87 138.86 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 4.0 ptt180 -147.4 126.51 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.3 tp -102.71 135.81 43.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -124.44 111.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -84.79 110.54 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.639 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 15.8 p90 -120.72 134.15 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -116.37 104.29 11.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.5 91.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.7 OUTLIER 90.41 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.051 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 3.7 m-30 -57.98 127.11 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.96 107.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 81' ' ' VAL . 33.0 p -75.07 167.52 21.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -72.07 153.83 92.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.4 p -40.08 163.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.6 p-10 -37.36 155.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.5 m -88.09 142.45 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -127.55 149.97 49.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.658 ' HB2' HD12 ' A' ' 75' ' ' LEU . 45.2 p30 -151.0 166.92 29.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -143.06 134.0 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -69.42 142.39 92.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.5 Cg_endo -74.91 168.8 24.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.07 177.81 8.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.3 mtt180 -157.94 -178.58 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 54.04 18.5 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 93' ' ' ASN . 36.2 tp -63.88 103.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 26' ' ' HIS . 9.3 p -125.88 166.13 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -120.86 166.6 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -154.9 92.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG3' HG21 ' A' ' 97' ' ' VAL . 3.4 ttt85 -66.52 97.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.563 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -100.81 -173.68 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -8.06 59.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 144.67 -172.64 25.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.046 HG11 HD12 ' A' ' 70' ' ' LEU . 1.7 m -101.33 114.15 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -81.84 151.35 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 42' ' ' LEU . 20.2 mt -125.58 122.12 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.596 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.1 m170 -111.34 119.5 39.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.698 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 33.5 p90 -124.19 173.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -116.82 147.23 39.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.83 25.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -49.69 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.1 mt -76.54 115.73 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -138.86 142.59 34.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.63 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -12.53 21.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -177.17 -86.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -133.56 173.59 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.42 115.25 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.603 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 150.92 149.11 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 49.8 m-85 -97.97 176.16 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.47 104.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.698 ' CD1' HD12 ' A' ' 54' ' ' LEU . 3.1 tm? -87.42 118.66 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt-10 -115.57 170.7 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.548 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -165.24 168.52 39.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 178.89 146.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 7.1 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -53.98 118.89 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -107.81 102.2 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.52 105.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.698 HD12 ' CD1' ' A' ' 42' ' ' LEU . 16.2 mt -75.09 -43.75 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -147.01 107.4 3.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.37 111.37 23.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.1 t -125.81 130.9 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.81 132.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.86 -7.84 71.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 p -109.85 -13.11 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.648 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.2 mm-40 -63.64 143.69 57.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.96 8.32 11.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.607 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -169.73 173.11 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp -165.61 152.03 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.6 tp -97.65 143.71 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.826 HG11 ' HE1' ' A' ' 78' ' ' PHE . 49.5 t -143.12 78.33 15.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.66 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.902 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -71.45 50.49 1.05 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HG11 ' A' ' 23' ' ' VAL . 12.9 mt -126.14 160.7 29.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.656 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -118.69 -169.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.656 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -115.42 151.03 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 4.9 t70 82.03 -4.63 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.84 167.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.15 95.31 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.872 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -82.23 134.51 35.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 6.3 mt-10 -99.37 -176.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.826 ' HE1' HG11 ' A' ' 67' ' ' VAL . 75.9 m-85 -162.63 149.35 13.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -154.37 129.89 9.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.698 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.1 tp -103.33 138.78 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 89' ' ' SER . 98.6 t -132.16 101.37 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.86 136.68 41.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.2 p90 -143.06 139.52 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.16 121.22 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.34 -94.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 m -118.12 15.58 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 14.5 m-85 -105.02 132.28 51.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.64 129.56 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.917 ' O ' HG13 ' A' ' 81' ' ' VAL . 42.6 p -94.62 164.87 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -70.44 153.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.0 Cg_endo -75.03 102.2 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.468 ' OG ' HD22 ' A' ' 14' ' ' LEU . 69.0 p -39.51 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -35.67 149.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.32 128.85 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.42 140.73 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.562 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.4 p30 -146.28 166.69 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.741 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -124.3 158.62 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 84' ' ' ALA . 50.1 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -84.59 154.48 62.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.06 165.46 31.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ASP . 7.4 mtt180 -149.8 173.73 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 49.09 51.7 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.89 117.6 29.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.76 168.9 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.595 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -145.9 119.11 8.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 24' ' ' LEU . 1.2 p -119.66 104.94 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -66.64 140.34 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -141.83 -178.28 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 1.3 7.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -130.3 19.1 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 119.17 -142.52 16.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.731 ' CG1' HD21 ' A' ' 70' ' ' LEU . 1.3 p -134.77 127.1 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.612 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -87.92 102.06 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD23 ' CB ' ' A' ' 16' ' ' ALA . 3.0 mt -89.6 125.52 35.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -116.52 122.01 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.642 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 47.3 p90 -127.47 175.64 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -117.93 147.75 41.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.02 28.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.56 -27.33 62.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.3 mt -96.13 107.01 19.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.1 t -129.53 142.36 45.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.629 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.93 -16.36 20.43 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.563 1.823 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 3.4 tttt 175.91 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' LYS . 13.8 tpt180 -122.36 144.92 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.43 130.39 35.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 4.8 t0 -86.83 -28.24 23.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.45 169.72 12.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 56.5 m-85 -109.88 176.62 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.693 HG23 ' CE2' ' A' ' 83' ' ' PHE . 53.9 t -132.43 106.2 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.726 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -80.86 111.53 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.636 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -114.0 118.71 34.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.14 15.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 22.8 ptt180 179.2 153.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 3.3 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 39.7 m95 -49.25 120.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 43' ' ' GLU . 1.1 pt-20 -116.94 136.67 52.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.7 m -84.69 108.76 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 67' ' ' VAL . 55.5 mt -68.41 -36.35 78.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 8.5 t0 -153.0 108.16 2.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.78 9.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.4 104.87 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ALA . 80.7 t -124.88 129.12 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -38.27 131.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.04 -2.01 57.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.6 p -110.68 -27.56 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.627 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 2.4 mm-40 -50.09 150.66 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -126.49 -2.92 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 39.8 mp0 -150.74 167.84 26.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.509 ' CD2' HD12 ' A' ' 42' ' ' LEU . 8.8 tp -157.31 144.54 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.6 126.87 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.815 HG12 ' CD1' ' A' ' 70' ' ' LEU . 76.7 t -117.72 101.48 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.1 Cg_endo -74.99 -11.23 21.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -56.39 -110.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.815 ' CD1' HG12 ' A' ' 67' ' ' VAL . 1.4 mp 45.62 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -146.51 -149.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.589 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -134.9 138.37 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.488 ' C ' HG13 ' A' ' 74' ' ' VAL . 3.7 t0 75.85 36.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ASP . 20.6 m -155.71 151.34 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -103.31 96.86 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.652 ' CE1' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -81.53 124.15 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.3 mt-10 -91.06 179.73 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 23' ' ' VAL . 89.4 m-85 -164.22 134.63 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 9.5 ptt180 -138.65 130.86 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.7 tp -102.46 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 89' ' ' SER . 71.6 t -133.62 102.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.89 128.23 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.693 ' CE2' HG23 ' A' ' 41' ' ' VAL . 31.6 p90 -130.51 144.69 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -127.59 104.91 8.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 29.01 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER 86.16 -59.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -57.96 127.61 32.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -124.15 118.74 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.892 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.4 p -76.26 166.88 22.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 54.7 m-20 -72.89 155.67 90.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.624 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.02 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 11' ' ' PRO . 16.7 p -45.02 167.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 14' ' ' LEU . 6.8 p-10 -38.44 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -88.1 130.98 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -102.23 147.26 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.721 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.7 p30 -142.23 141.48 32.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.756 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -127.13 154.63 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HD2' ' A' ' 34' ' ' PRO . 42.9 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -84.42 137.6 39.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -145.0 169.44 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.57 41.91 82.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.3 OUTLIER -84.29 109.01 17.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.0 m -129.6 168.2 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.9 109.1 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.545 HG11 ' CE1' ' A' ' 26' ' ' HIS . 3.8 p -101.46 116.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.48 121.55 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.456 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.6 p -118.66 165.89 15.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -117.62 -9.62 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.0 -138.8 6.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.843 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.7 t -129.16 115.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.597 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -89.8 114.51 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -92.72 111.61 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.597 ' NE2' ' HB3' ' A' ' 24' ' ' LEU . 6.3 m170 -97.85 125.48 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.554 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.2 p90 -135.67 177.48 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -123.03 154.02 64.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.45 35.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 124.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.12 -36.15 48.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.7 mt -98.66 90.28 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.596 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.97 148.95 58.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.04 -33.43 4.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 33' ' ' VAL . 2.5 mttm -149.23 -106.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -124.9 151.13 45.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 102.63 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 5.9 t70 -62.62 -36.24 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 163.2 151.51 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.621 ' OH ' HD23 ' A' ' 37' ' ' LEU . 93.0 m-85 -96.86 174.76 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.812 HG12 ' OE1' ' A' ' 43' ' ' GLU . 72.6 t -137.29 106.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.023 HD12 ' HB2' ' A' ' 54' ' ' LEU . 3.4 tm? -83.17 129.46 35.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.812 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.31 122.46 26.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -127.56 177.18 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 5.3 ptt180 177.72 146.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.2 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.451 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 59.9 m95 -56.29 130.01 42.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' C ' ' HG3' ' A' ' 43' ' ' GLU . 5.1 pt-20 -131.9 137.12 47.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.5 m -79.38 113.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.023 ' HB2' HD12 ' A' ' 42' ' ' LEU . 11.6 mt -76.33 -20.48 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' A' ' 58' ' ' VAL . 16.1 t0 -165.63 105.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.02 -43.62 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.69 108.35 19.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG22 ' OD2' ' A' ' 55' ' ' ASP . 40.3 t -126.73 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.27 124.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -5.66 44.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.8 p -105.21 -9.57 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.383 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.43 156.38 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -133.61 5.03 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.1 mp0 -152.01 167.29 28.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.671 HD23 ' HG ' ' A' ' 42' ' ' LEU . 9.4 tp -162.7 152.76 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -110.27 143.8 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 54' ' ' LEU . 57.8 t -137.29 85.32 21.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.93 13.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -41.77 -35.88 1.59 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 67' ' ' VAL . 6.0 mp -39.0 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 72' ' ' LYS . 2.4 mm -103.67 -124.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -135.99 -91.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.539 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -66.2 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.3 m -158.05 164.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -121.25 92.45 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.1 m-85 -83.95 130.93 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 8.3 mt-10 -93.36 -176.85 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CE2' HG11 ' A' ' 23' ' ' VAL . 75.5 m-85 -160.09 147.85 16.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 11.2 ptt180 -159.78 124.85 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.914 HD13 HD23 ' A' ' 42' ' ' LEU . 3.3 tp -101.01 142.02 33.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 89' ' ' SER . 62.1 t -131.73 103.92 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.13 126.31 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -132.28 135.54 46.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 157.4 34.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 32.46 -96.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -126.66 22.65 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.958 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-85 -110.95 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.06 116.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.935 ' O ' HG13 ' A' ' 81' ' ' VAL . 12.9 p -79.79 163.6 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 48.5 m-20 -70.52 156.38 92.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.632 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' ASN . 34.0 p -40.62 163.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.7 p-10 -36.52 151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -89.21 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -128.9 150.98 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.3 p30 -151.14 167.75 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.69 158.67 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 45.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -85.45 150.62 54.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.451 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -152.54 -177.45 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.51 41.16 6.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 27' ' ' TRP . 66.5 tp -88.23 122.2 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.3 m -142.53 168.11 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.84 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -133.45 113.02 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.812 HG11 ' CE1' ' A' ' 26' ' ' HIS . 2.2 p -103.31 111.4 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.53 124.74 24.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.82 177.02 2.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.469 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.03 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -73.83 -7.84 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.94 -136.85 7.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.97 HG21 HD23 ' A' ' 70' ' ' LEU . 8.5 t -127.91 127.6 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -104.59 121.06 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.748 ' CD1' HD21 ' A' ' 42' ' ' LEU . 6.5 mt -100.53 127.01 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.812 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.7 m170 -113.33 116.3 29.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.725 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.2 p90 -124.0 177.63 5.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -124.05 147.57 54.65 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 149.58 36.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.94 140.78 26.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.762 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -47.61 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 32' ' ' LEU . 3.3 mt -84.41 115.01 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.5 t -132.85 144.12 51.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.733 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -15.71 20.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.48 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.65 138.18 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -70.58 131.4 43.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -86.92 -26.66 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.42 156.35 7.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' HD22 ' A' ' 37' ' ' LEU . 23.9 m-85 -98.2 177.94 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 81' ' ' VAL . 1.1 p -133.75 111.36 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD21 ' CD1' ' A' ' 25' ' ' LEU . 18.0 tp -80.26 120.76 24.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -124.81 111.27 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.7 177.5 18.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 30.0 ptt180 -178.57 153.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 63.1 m95 -65.91 111.06 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 54' ' ' LEU . 13.4 pt-20 -101.19 130.3 47.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.26 100.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HG ' ' A' ' 42' ' ' LEU . 59.7 mt -68.42 -49.82 57.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.89 105.35 0.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.99 -19.83 17.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.407 1.74 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.05 98.22 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 44.6 t -125.76 130.32 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.33 124.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -7.99 46.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.2 p -107.88 -18.47 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.698 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 2.3 mm-40 -57.67 160.18 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 p -136.97 9.62 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -170.89 172.18 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.741 HD23 ' CD2' ' A' ' 42' ' ' LEU . 9.6 tp -166.28 155.02 10.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 13.6 tp -93.8 139.61 30.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -134.62 65.25 66.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.0 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -7.02 86.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.63 159.88 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.654 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.1 mm -103.96 171.6 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -108.57 142.68 38.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 2.2 t70 82.68 18.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.654 HG21 ' HB ' ' A' ' 71' ' ' ILE . 18.4 m -138.42 179.5 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.031 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -125.55 94.79 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.4 m-85 -81.97 120.27 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 5.0 mt-10 -88.76 179.89 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.628 ' HZ ' HD21 ' A' ' 70' ' ' LEU . 93.5 m-85 -161.77 157.35 24.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.3 ptt180 -162.44 126.51 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.725 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -100.86 141.74 33.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -129.53 105.98 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.51 111.07 9.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 11.6 p90 -124.57 138.77 54.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -131.27 119.95 22.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.05 -98.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -111.07 0.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.954 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' ALA . 39.1 m-85 -93.35 118.56 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.01 110.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.4 p -76.96 166.85 22.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 46.1 m-20 -73.04 154.11 90.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -75.05 110.71 3.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.9 p -43.65 173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -44.46 173.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 1.5 m -103.6 127.83 50.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.2 124.06 47.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 1.031 ' HB2' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -107.53 146.61 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.863 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -117.91 143.44 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.83 87.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 35.52 4.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.56 -164.09 14.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.86 103.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -143.44 158.23 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.36 56.66 0.47 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 22.2 tp -125.19 115.99 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -81.63 145.59 54.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 171.43 18.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.98 176.6 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.9 mtt180 -151.28 173.7 14.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.97 42.44 54.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.18 115.46 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 26' ' ' HIS . 2.7 m -133.94 167.36 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -136.23 119.46 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 24' ' ' LEU . 3.9 p -111.44 110.12 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -66.91 125.39 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.64 174.57 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -35.22 3.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -80.73 -12.53 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.25 -141.9 8.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.083 HG21 HD12 ' A' ' 70' ' ' LEU . 35.4 t -128.88 119.93 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -93.65 134.74 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.774 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.6 mt -116.89 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 13' ' ' GLY . 2.4 m170 -115.14 126.38 54.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 25.8 p90 -135.34 177.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -121.34 147.77 48.09 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.12 28.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HG2' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 107.75 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -32.47 67.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.2 mt -90.63 110.23 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.725 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -135.42 143.76 46.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -15.31 20.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 10.9 ttpt 177.94 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 17.7 ttm180 -125.76 146.12 49.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD22 ' HA2' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -81.79 134.75 35.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -31.65 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 145.64 157.18 7.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.828 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 46.5 m-85 -97.37 179.33 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -137.36 113.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 25' ' ' LEU . 30.1 tp -84.95 119.31 25.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 2.4 mt-10 -123.68 115.4 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.33 -179.02 15.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CZ ' ' CE2' ' A' ' 51' ' ' TRP . 28.0 ptt180 177.44 154.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.74 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 48.7 mt-30 -83.9 131.58 34.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 37.22 -102.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.4 p -119.04 47.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.975 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -91.11 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.94 129.72 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CE2' ' CZ ' ' A' ' 45' ' ' ARG . 60.9 m95 -57.99 105.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.71 129.05 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG12 ' HD3' ' A' ' 56' ' ' PRO . 44.6 t -75.09 99.41 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.68 HD13 HG11 ' A' ' 67' ' ' VAL . 49.7 mt -64.48 -45.84 85.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.75 103.33 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.97 -20.88 16.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.55 97.69 7.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ALA . 93.3 t -126.18 130.15 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.22 131.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.559 ' HA2' HD22 ' A' ' 37' ' ' LEU . . . -74.1 -1.0 58.8 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.2 p -114.59 -19.67 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -57.52 149.14 21.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 p -121.04 4.91 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.79 173.09 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.726 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.7 tp -165.43 153.07 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.2 tp -100.27 139.69 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 54' ' ' LEU . 54.2 t -140.41 82.79 15.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.03 18.82 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.565 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.5 50.3 2.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 23' ' ' VAL . 3.1 mt -112.81 159.14 19.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.788 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.6 mm -111.42 152.51 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 160.28 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.83 9.74 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.788 HG21 ' HB ' ' A' ' 71' ' ' ILE . 31.4 m -131.99 174.63 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -127.35 98.34 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -80.42 131.24 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.7 mt-10 -91.49 -178.2 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.923 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 72.0 m-85 -161.76 154.75 20.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 14.5 ptt180 -163.37 122.59 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.746 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -104.85 132.32 51.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.9 HG13 HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -131.37 107.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.828 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -72.75 147.53 45.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.712 ' CB ' HG12 ' A' ' 88' ' ' VAL . 16.8 p90 -150.89 141.64 22.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -117.66 107.7 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.04 -113.03 1.26 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -23.86 58.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 0.804 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -84.32 148.47 26.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.2 m -140.53 161.54 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.0 p -124.16 160.24 28.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 4.2 m-20 -69.26 154.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.549 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.98 109.97 3.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.763 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 80' ' ' LEU . 53.0 p -41.22 165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.8 p-10 -37.08 154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 12.7 m -80.84 138.87 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -110.24 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.443 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -114.48 145.16 42.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -120.15 147.87 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -111.09 149.49 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.65 63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -112.97 -30.67 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.74 6.34 5.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.52 158.86 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.729 ' HB3' HD22 ' A' ' 102' ' ' LEU . 1.9 t 44.67 72.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.85 -171.85 39.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.29 24.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.34 137.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -121.15 91.42 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -121.71 95.4 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.3 160.51 28.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -111.5 154.28 24.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -106.99 140.31 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.73 11.81 3.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 83' ' ' PHE . 57.4 tp -104.99 119.91 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -80.29 148.6 67.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.96 169.44 22.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -74.96 176.3 10.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.84 179.89 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.33 50.17 6.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.9 tp -94.56 127.39 40.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.9 m -144.53 167.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.767 HG11 ' CE1' ' A' ' 26' ' ' HIS . 1.5 p -107.74 117.02 52.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -70.84 135.9 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -134.23 178.53 1.72 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.03 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -9.15 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 145.91 -144.85 13.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' VAL . 42.2 t -117.66 139.87 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.797 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -115.64 127.71 55.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 78' ' ' PHE . 7.2 mt -108.74 127.18 53.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.767 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.3 m170 -113.54 113.06 24.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.794 ' HB3' HD13 ' A' ' 14' ' ' LEU . 30.8 p90 -120.14 177.39 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -123.51 147.42 52.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.93 36.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 128.09 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.75 -36.74 70.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 32' ' ' LEU . 5.8 mt -93.42 111.72 23.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -129.12 142.35 44.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.97 -15.04 21.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt 174.2 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.71 150.3 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -88.54 133.21 34.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.0 -30.35 16.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 147.67 165.6 12.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.577 1.173 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.666 ' CE1' HD22 ' A' ' 37' ' ' LEU . 31.3 m-85 -106.88 177.79 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.691 HG23 ' CE2' ' A' ' 83' ' ' PHE . 79.3 t -131.14 106.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -87.98 114.68 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.549 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mt-10 -119.25 128.37 54.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.68 178.96 16.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 18.3 ptt180 176.16 153.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.701 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 4.6 mt-30 -89.57 149.49 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 35.49 -102.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.19 33.63 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -172.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.27 141.27 20.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.422 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 96.5 m95 -65.38 105.2 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.8 pt-20 -95.09 107.0 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.01 104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' A' ' 42' ' ' LEU . 66.5 mt -75.66 -45.56 36.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.13 106.03 3.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -43.09 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.46 107.65 19.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.5 t -126.34 129.44 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -36.63 131.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.95 -3.44 55.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.9 p -114.21 -25.29 8.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 0.789 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 2.8 mm-40 -50.9 141.16 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -115.74 7.58 14.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -169.88 172.16 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -162.79 152.43 15.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 23' ' ' VAL . 16.8 tp -91.69 141.68 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.988 HG23 ' HB ' ' A' ' 23' ' ' VAL . 2.9 m -139.13 70.85 41.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.98 20.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.12 -23.9 60.19 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.977 HD12 HG21 ' A' ' 23' ' ' VAL . 2.5 mt -47.95 174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.2 mt -141.38 -172.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.741 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -110.79 174.63 5.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.74 19.58 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.29 165.39 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -125.22 97.32 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.701 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 4.0 m-85 -83.28 139.47 33.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.6 mt-10 -102.27 -176.6 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.83 ' CD2' HD21 ' A' ' 25' ' ' LEU . 46.0 m-85 -159.54 155.68 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 5.7 ptt180 -164.24 122.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.769 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.6 tp -103.32 139.19 39.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.09 110.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.07 146.63 45.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.8 p90 -152.39 133.53 14.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -117.23 106.62 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 25.09 93.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 m 90.94 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 78.1 m-85 -58.75 123.08 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.0 t -122.41 111.77 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.4 p -78.05 161.27 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 37.5 m-20 -69.28 154.65 94.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.04 110.06 3.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' PRO . 41.5 p -43.28 169.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.473 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 p-10 -39.16 160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -90.63 132.75 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -122.46 144.51 49.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 39.3 p30 -150.13 165.79 31.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.57 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -126.66 164.96 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -111.04 156.95 20.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -160.24 73.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 p -113.99 -25.34 8.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.92 36.25 4.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.73 162.61 19.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 t -48.53 -42.85 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.59 -155.23 49.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.71 4.9 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 t -132.59 158.9 41.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.92 126.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 -57.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.8 33.93 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.51 139.19 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.96 135.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.14 -81.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.13 -32.39 0.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' A' ' 34' ' ' PRO . 49.0 tp -112.85 114.51 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -82.27 146.59 54.85 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.04 170.79 19.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.01 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.6 mtt180 -154.51 -177.88 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 43.75 47.46 7.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.0 tp -92.31 127.64 37.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.3 167.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -136.05 122.88 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.3 p -115.64 114.52 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HG2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -72.42 123.68 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.44 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -126.24 178.91 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.432 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -38.83 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.772 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -75.37 -12.28 60.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.15 -138.18 6.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.995 HG21 HD12 ' A' ' 70' ' ' LEU . 91.4 t -131.21 121.59 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -96.85 131.88 43.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HD21 ' A' ' 42' ' ' LEU . 9.9 mt -111.47 131.17 55.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -116.27 113.54 23.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.553 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.702 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 32.5 p90 -120.35 177.44 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 108.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.4 m-20 -120.85 149.79 51.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.2 Cg_endo -75.0 153.87 42.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.1 Cg_endo -75.04 120.99 6.29 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.65 -27.53 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 32' ' ' LEU . 7.2 mt -112.62 102.34 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -131.4 153.93 81.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.02 -38.07 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' H ' HG23 ' A' ' 33' ' ' VAL . 29.6 tttt -148.54 -106.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 39.2 ptt180 -119.06 151.44 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -75.56 115.19 14.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.92 -34.44 57.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.587 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.73 153.96 7.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.573 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 49.9 m-85 -100.55 176.87 5.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' HG13 ' A' ' 81' ' ' VAL . 72.3 t -129.5 106.6 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 65' ' ' LEU . 1.9 tp -84.63 116.26 23.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -120.76 120.58 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -123.1 175.59 16.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 10.8 ptt180 177.48 150.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.5 pt20 -124.67 169.57 11.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 30.25 39.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' GLN . 4.0 m 78.98 -56.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.042 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER 25.36 -144.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . -124.18 127.02 6.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 44.3 m95 -41.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.1 pt-20 -107.38 117.49 34.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.33 118.85 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 67' ' ' VAL . 52.9 mt -83.79 -36.67 23.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -156.95 106.74 1.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 107.19 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ALA . 77.0 t -125.74 132.1 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.96 125.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.49 -5.88 56.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.9 p -112.74 1.55 15.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.586 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -79.99 159.57 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -133.32 7.4 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.14 171.38 9.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.045 HD23 HD23 ' A' ' 42' ' ' LEU . 12.4 tp -166.45 153.94 9.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.5 tp -98.88 135.23 40.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 54' ' ' LEU . 71.3 t -131.73 83.68 56.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.15 18.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.65 49.89 2.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.995 HD12 HG21 ' A' ' 23' ' ' VAL . 2.8 mt -113.46 159.39 19.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.737 ' HB ' HG21 ' A' ' 74' ' ' VAL . 3.7 mm -116.72 169.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -102.33 152.36 21.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.04 17.18 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.737 HG21 ' HB ' ' A' ' 71' ' ' ILE . 11.9 m -132.1 169.07 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -123.87 94.8 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.64 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.6 m-85 -81.67 126.76 32.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.7 mt-10 -91.7 -177.13 4.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.739 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 86.3 m-85 -162.66 136.81 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.2 ptt180 -144.49 122.64 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.7 tp -102.2 141.05 35.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -138.18 109.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.23 141.81 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -145.89 139.38 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.054 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 105.99 10.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 26.7 93.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.4 t 87.76 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 94.1 m-85 -58.06 117.46 4.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 t -116.99 113.16 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.1 p -76.29 160.01 30.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 51.1 m-20 -68.53 154.88 93.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.0 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 93' ' ' ASN . 26.8 p -45.51 173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -43.5 168.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -102.08 133.3 47.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.8 150.17 44.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.773 ' HB2' HD12 ' A' ' 75' ' ' LEU . 24.9 p30 -150.37 166.69 29.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.6 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -133.37 134.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.15 145.63 44.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 48.5 p -127.47 52.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 t -106.71 -17.59 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -103.07 39.66 2.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 99' ' ' THR . 4.1 mm? -91.16 127.26 36.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 t 67.86 -67.95 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' LEU . . . 131.62 132.72 3.39 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.62 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.49 -57.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.0 m -109.79 134.7 51.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -146.89 138.68 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.75 34.15 5.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.48 172.51 38.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.15 74.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -88.47 131.48 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 48.88 0.7 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -117.52 116.08 26.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -79.32 150.95 74.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.94 170.61 20.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.3 Cg_endo -74.97 176.09 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -151.36 -175.49 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.7 46.02 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.158 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -87.94 126.02 34.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m -149.16 168.51 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -133.86 153.03 52.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.9 p -148.08 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 135.17 49.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.59 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.2 p -138.73 -172.75 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.96 -31.05 6.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.64 ' O ' HD21 ' A' ' 66' ' ' LEU . 25.2 mtt180 -91.64 -4.67 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' THR . . . 134.77 -167.63 23.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.041 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.16 120.31 54.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -89.76 131.03 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD23 ' CB ' ' A' ' 16' ' ' ALA . 8.6 mt -107.38 127.47 53.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CE1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -113.82 122.6 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 35.4 p90 -128.73 177.4 7.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -122.2 150.54 57.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.0 149.79 37.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -58.63 -20.59 48.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.4 mt -108.46 108.23 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.9 t -129.64 142.35 45.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.638 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.05 -13.27 21.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 172.3 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 145.18 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -83.24 133.07 35.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.89 -33.66 16.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 154.68 170.61 20.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' HD22 ' A' ' 37' ' ' LEU . 85.8 m-85 -112.34 176.97 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.15 105.45 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 65' ' ' LEU . 29.1 tp -87.2 118.72 26.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -121.64 127.52 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.78 177.77 16.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 21.1 ptt180 176.49 153.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.713 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.5 mt-30 -91.59 137.51 32.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.41 -111.26 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 m -118.66 50.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.47 -176.18 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.65 129.59 12.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' ' NH1' ' A' ' 79' ' ' ARG . 57.7 m95 -55.23 125.06 19.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 3.6 pt-20 -116.67 125.93 52.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.2 112.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 67' ' ' VAL . 80.7 mt -78.7 -52.33 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -142.22 106.31 5.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.1 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.91 105.48 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ALA . 60.9 t -126.23 126.43 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -36.56 128.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.6 -3.04 39.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.9 p -109.11 -22.29 12.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 0.806 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.821 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 1.4 mm-40 -58.15 151.52 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -124.52 -11.15 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 13.9 mp0 -147.17 172.01 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 42' ' ' LEU . 12.5 tp -164.2 154.31 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.64 HD21 ' O ' ' A' ' 21' ' ' ARG . 4.5 tp -101.9 138.49 38.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 54' ' ' LEU . 53.6 t -140.29 80.41 19.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -9.36 20.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -73.13 53.15 1.78 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.041 HD12 HG11 ' A' ' 23' ' ' VAL . 3.9 mt -115.1 159.1 21.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.842 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.9 mm -113.34 156.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.89 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.4 OUTLIER -92.66 157.22 16.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t0 66.97 16.78 10.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.842 HG21 ' HB ' ' A' ' 71' ' ' ILE . 33.9 m -133.9 173.79 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.13 94.21 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.5 m-85 -81.08 122.03 26.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -89.87 174.61 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.74 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 73.6 m-85 -152.87 160.7 43.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.618 ' NH1' ' CE2' ' A' ' 51' ' ' TRP . 2.4 ptm180 -165.78 133.58 2.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.7 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 4.4 tp -115.44 137.67 51.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.581 HG12 ' HB3' ' A' ' 91' ' ' PRO . 2.0 m -136.39 112.65 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.71 141.39 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 39' ' ' GLY . 22.0 p90 -144.29 128.77 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.2 107.68 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.31 -111.11 3.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 -8.03 49.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -86.75 131.41 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.4 120.71 57.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 82' ' ' ALA . 9.3 p -84.73 162.36 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.9 OUTLIER -72.32 156.61 90.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HB3' HG12 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 111.03 3.23 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 14' ' ' LEU . 61.5 p -45.54 172.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.9 p-10 -39.68 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -94.68 128.24 41.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.86 149.46 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.546 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 35.4 p30 -151.17 167.66 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.547 HG12 ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -124.01 166.65 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.6 t -122.06 161.74 22.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.028 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.89 HG21 ' HA ' ' A' ' 72' ' ' LYS . 6.4 t -157.74 31.37 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.2 p -76.03 -30.85 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.48 48.86 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.2 OUTLIER -108.31 136.47 47.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 109.325 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' LEU . 3.3 t 80.4 -63.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.04 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.37 145.99 3.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -144.12 156.99 44.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 m -154.92 110.62 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.36 134.87 15.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.27 34.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.39 -153.92 4.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.46 169.8 8.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 p -143.62 -176.58 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.81 -33.9 4.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' HB2' ' HG3' ' A' ' 34' ' ' PRO . 41.6 tp -100.23 115.74 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 3.7 m -79.56 152.06 75.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.01 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.04 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.8 mtt180 -156.05 179.53 9.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 56.23 15.13 9.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -56.99 98.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.7 p -125.64 168.89 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -132.86 164.51 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 24' ' ' LEU . 4.5 p -159.91 102.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' C ' ' CG2' ' A' ' 19' ' ' THR . 2.4 ttt-85 -64.79 148.1 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.49 -177.65 0.77 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.97 -35.32 3.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -84.15 -20.18 32.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 19' ' ' THR . . . 144.94 164.69 10.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.042 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.23 117.05 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -88.27 132.08 34.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.73 ' CD1' HD21 ' A' ' 42' ' ' LEU . 11.2 mt -106.68 128.84 54.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . 6.4 m170 -113.96 129.39 56.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.713 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -136.12 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -121.08 149.64 51.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.14 33.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.27 3.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -66.49 -18.76 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.5 mp -107.16 96.16 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -120.36 145.37 40.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.83 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -74.98 -16.16 20.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt 177.22 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 150.93 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -89.0 129.78 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 17.4 t0 -87.55 -29.64 21.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.84 170.35 17.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.705 ' CE1' HD22 ' A' ' 37' ' ' LEU . 76.8 m-85 -111.67 177.49 4.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' CE2' ' A' ' 83' ' ' PHE . 64.9 t -133.31 105.71 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 65' ' ' LEU . 4.2 tp -84.32 120.61 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.2 mt-10 -125.85 124.83 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.554 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -126.61 177.32 17.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 6.0 ptt180 178.15 147.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -112.39 157.56 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.29 -125.58 13.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 42.78 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -172.66 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.13 143.63 16.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.433 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 85.6 m95 -57.32 111.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.7 pt-20 -103.93 114.77 29.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.25 117.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 67' ' ' VAL . 24.4 mt -86.15 -35.29 20.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.504 ' OD2' HG22 ' A' ' 58' ' ' VAL . 35.6 t0 -159.5 106.35 1.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.429 1.752 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.66 106.52 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' OD2' ' A' ' 55' ' ' ASP . 61.0 t -126.04 128.88 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.31 128.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.29 -8.99 63.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.5 p -108.08 -13.63 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.372 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -60.68 157.45 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -133.81 10.79 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.593 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -175.19 168.07 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.896 HD23 HD23 ' A' ' 42' ' ' LEU . 16.3 tp -161.55 154.15 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 tp -99.16 132.09 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 54' ' ' LEU . 77.0 t -129.59 81.91 68.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -8.26 19.96 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.563 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.26 50.24 2.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.042 HD12 HG11 ' A' ' 23' ' ' VAL . 2.4 mt -113.01 161.97 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.2 mm -118.97 160.42 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.854 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.27 7.87 5.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.724 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.3 m -125.96 173.3 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.83 94.27 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.642 ' CG ' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.81 126.72 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.45 -177.97 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.751 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 65.7 m-85 -160.41 143.93 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.4 ptt180 -152.46 125.05 8.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.713 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.4 tp -101.59 136.81 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 89' ' ' SER . 43.1 t -129.42 105.3 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.96 135.31 41.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 19.9 p90 -139.5 141.83 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.21 104.06 8.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.25 90.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.6 t 91.04 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 5.3 m-30 -57.44 138.05 55.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -133.6 130.38 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 81' ' ' VAL . 59.9 p -93.77 166.38 12.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -70.73 155.51 93.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.571 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 103.32 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' ASN . 65.7 p -40.52 162.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.687 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.03 151.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.4 m -84.49 149.87 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -139.13 141.25 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 75' ' ' LEU . 53.8 p30 -145.86 155.81 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.501 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.99 142.85 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.2 t -101.28 163.07 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.854 HG21 ' HA ' ' A' ' 72' ' ' LYS . 11.0 t -150.12 21.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 t -64.31 -33.8 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.26 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.807 HD23 ' HB2' ' A' ' 103' ' ' SER . 0.2 OUTLIER -103.89 147.08 27.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.749 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.807 ' HB2' HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER 73.26 36.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.945 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.54 -151.62 5.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.57 9.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.0 t 176.79 -51.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.8 m -42.83 150.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.8 p -178.36 146.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.794 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.37 -13.97 20.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.38 175.82 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.63 169.15 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.28 121.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.81 40.35 1.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 27.3 tp -116.71 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 p -79.56 150.31 72.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 164.84 32.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.98 13.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' ASP . 3.5 mtt180 -150.42 -168.2 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.75 34.54 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD12 ' OG ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -77.93 127.74 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.4 m -152.0 168.81 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.708 ' CB ' HG12 ' A' ' 97' ' ' VAL . . . -128.78 168.72 15.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 17' ' ' VAL . 9.0 p -162.39 108.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' NE ' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -68.95 129.15 39.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -132.44 -174.93 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.95 -37.14 2.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD21 ' A' ' 66' ' ' LEU . 13.0 mtt180 -85.12 -7.23 59.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 142.67 -161.77 27.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 1.2 m -113.85 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.753 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -82.55 148.97 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 17.5 mt -124.74 110.98 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.1 m170 -98.0 129.5 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.716 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 19.0 p90 -136.54 178.61 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -119.54 146.4 41.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.42 31.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.783 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.83 -33.55 61.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -91.65 113.96 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.685 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.8 t -135.37 143.22 44.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.685 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -11.46 21.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.801 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 6.9 mtmt 168.38 -85.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.61 156.34 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -91.31 133.77 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -92.17 -23.93 19.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 141.15 166.13 10.61 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.73 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 90.6 m-85 -108.2 176.86 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.594 HG23 ' CE2' ' A' ' 83' ' ' PHE . 74.6 t -131.81 104.89 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -85.59 114.63 22.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.517 ' CD ' HG22 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -121.82 121.51 37.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -122.44 177.66 16.46 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 22.1 ptt180 -178.61 148.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 10.5 pt20 -116.33 161.72 18.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.17 25.84 1.2 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.3 38.77 12.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.026 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -173.33 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.39 127.53 32.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 87.9 m95 -51.64 113.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -101.99 118.55 37.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 43' ' ' GLU . 73.4 t -59.36 105.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 42' ' ' LEU . 47.2 mt -78.19 -52.42 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -142.64 105.02 5.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.17 2.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.99 107.69 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 59' ' ' ALA . 10.3 t -125.97 130.38 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.78 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -34.34 122.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.12 56.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.9 p -109.71 -8.98 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.745 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.78 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.2 158.67 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.446 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -135.51 7.49 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 55.7 mp0 -152.26 168.63 24.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -167.07 144.76 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.8 tp -113.57 135.94 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.779 HG12 ' CD2' ' A' ' 70' ' ' LEU . 72.4 t -129.44 91.0 42.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.57 21.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -75.57 53.05 2.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.779 ' CD2' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -110.31 158.08 18.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.869 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -102.6 170.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.79 -126.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.513 ' C ' HG13 ' A' ' 74' ' ' VAL . 10.9 t0 -56.22 85.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.869 HG21 ' HB ' ' A' ' 71' ' ' ILE . 10.6 m -156.87 169.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.58 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -125.95 92.56 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CB ' HD13 ' A' ' 70' ' ' LEU . 3.1 m-85 -83.04 128.71 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 6.4 mt-10 -91.3 178.31 6.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 25' ' ' LEU . 66.7 m-85 -161.62 138.78 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -143.98 126.29 15.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.2 tp -102.79 135.97 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.975 HG13 ' O ' ' A' ' 89' ' ' SER . 37.4 t -129.93 103.45 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.73 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.1 127.86 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 41' ' ' VAL . 25.0 p90 -132.28 142.9 49.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HD22 ' A' ' 8' ' ' LEU . . . -127.64 108.87 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.36 -98.31 0.38 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.24 5.62 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.22 132.24 43.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' A' ' 81' ' ' VAL . 11.4 t -122.05 124.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.975 ' O ' HG13 ' A' ' 81' ' ' VAL . 32.6 p -86.77 166.96 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -71.48 152.75 93.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.542 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.893 ' OG ' HD12 ' A' ' 14' ' ' LEU . 76.2 p -39.39 162.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 92' ' ' SER . 1.5 p-10 -35.35 151.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -84.47 133.44 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -118.78 146.64 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.58 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -150.66 162.72 40.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.708 HG12 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.51 137.23 58.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.94 142.66 30.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.0 p -119.91 21.49 11.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.364 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -82.14 -30.71 30.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.37 -39.6 87.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.716 ' C ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -87.16 163.04 17.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.5 m 60.67 64.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -176.5 -176.08 44.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.99 4.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.46 85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.6 p -152.78 104.02 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -40.83 124.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 -23.24 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.0 44.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -103.25 158.92 15.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 41.4 t -121.14 -48.68 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.9 54.94 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 30.4 tp -122.02 120.16 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -86.44 145.54 40.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.0 Cg_endo -75.06 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 171.29 18.58 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.3 OUTLIER -142.78 176.38 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.11 43.07 24.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.5 tm? -82.66 129.33 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 ' N ' HD13 ' A' ' 14' ' ' LEU . 3.7 m -150.07 167.96 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -137.32 125.72 23.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -113.97 121.5 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -74.85 119.06 18.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -115.59 171.92 4.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.73 20.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.97 -26.75 13.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.4 -142.29 6.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.044 HG21 HD12 ' A' ' 70' ' ' LEU . 45.2 t -130.87 112.36 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.1 tp -87.69 127.82 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 42' ' ' LEU . 7.5 mt -103.77 132.48 49.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.8 m170 -115.98 117.36 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.601 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.558 ' HB3' HD23 ' A' ' 14' ' ' LEU . 23.2 p90 -130.89 177.62 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -120.92 149.45 50.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -75.03 141.4 26.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.01 113.28 3.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -37.73 87.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.7 mt -84.25 98.68 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -127.27 142.3 43.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.612 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 -12.49 21.51 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.85 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -126.33 174.75 8.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -98.75 105.7 17.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -33.14 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 58' ' ' VAL . . . 148.63 163.7 11.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.742 ' CD2' HD13 ' A' ' 80' ' ' LEU . 7.0 m-85 -109.15 179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG23 ' CE2' ' A' ' 83' ' ' PHE . 55.6 t -132.02 104.14 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 25' ' ' LEU . 1.5 tm? -84.31 115.36 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -110.4 171.01 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.665 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -169.84 170.48 42.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 7.8 ptt180 178.57 147.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 3.8 pm0 -113.98 149.33 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.41 -130.54 51.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 m -114.38 37.26 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.67 -172.43 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.62 152.4 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 93.1 m95 -65.28 138.66 58.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' HD23 ' A' ' 54' ' ' LEU . 7.2 pt-20 -128.64 109.99 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.34 100.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.781 HD13 HG11 ' A' ' 67' ' ' VAL . 21.6 mt -68.94 -40.01 79.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.16 106.8 2.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -46.21 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.13 107.83 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 58.3 t -125.77 131.16 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.17 127.75 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.61 -9.07 61.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -112.05 -8.49 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.442 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.743 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -65.47 149.06 50.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -123.23 8.67 9.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -169.42 173.67 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.7 tp -165.1 154.07 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 1.8 tp -101.93 140.26 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.781 HG11 HD13 ' A' ' 54' ' ' LEU . 35.7 t -142.7 81.87 12.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -10.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.531 1.806 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.654 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -69.77 53.06 0.72 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HG21 ' A' ' 23' ' ' VAL . 5.9 mt -117.14 160.25 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.664 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.4 mm -115.45 163.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -99.07 159.98 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.69 6.69 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG21 ' HB ' ' A' ' 71' ' ' ILE . 32.3 m -129.02 174.9 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.77 96.51 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 70' ' ' LEU . 1.8 m-85 -81.04 127.28 32.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.94 179.47 5.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.647 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -155.8 159.11 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.498 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 4.5 ptt180 -164.87 129.06 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.742 HD13 ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -102.64 133.44 47.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 89' ' ' SER . 41.1 t -127.53 98.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -73.83 144.06 45.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.689 ' CB ' HG12 ' A' ' 88' ' ' VAL . 18.8 p90 -148.37 143.9 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.69 107.59 11.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.12 -112.15 4.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -1.71 57.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 6' ' ' SER . 8.4 m-30 -99.11 149.44 23.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.689 HG12 ' CB ' ' A' ' 83' ' ' PHE . 3.4 m -139.64 161.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.855 ' O ' HG13 ' A' ' 81' ' ' VAL . 27.1 p -120.45 165.08 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 34.4 m-20 -68.94 158.41 86.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.574 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' ASN . 26.2 p -40.25 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' SER . 5.3 p-10 -35.94 152.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 3.1 m -88.3 138.35 31.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -129.56 150.55 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.645 ' HB2' HD12 ' A' ' 75' ' ' LEU . 52.7 p30 -149.56 163.05 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG11 HG13 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -129.04 133.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.17 162.03 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.411 HG21 ' HA ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -157.09 55.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.6 t -108.63 -28.36 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.1 17.12 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.826 HD22 ' HB2' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.37 151.36 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 0.801 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.826 ' HB2' HD22 ' A' ' 102' ' ' LEU . 0.6 OUTLIER 67.26 -73.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 102' ' ' LEU . . . -58.25 134.7 52.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.03 2.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 82.13 1.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t 58.7 113.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -179.34 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -98.67 32.15 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.28 -172.42 13.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -80.17 126.64 31.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -177.78 147.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.74 77.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 57.5 tp -107.71 118.57 37.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.78 148.43 51.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.5 Cg_endo -74.96 177.47 8.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.4 mtt180 -152.34 174.34 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 61.11 11.1 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -54.16 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 26' ' ' HIS . 4.2 p -125.48 168.47 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -131.17 163.73 27.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 24' ' ' LEU . 3.5 p -156.83 104.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -65.87 145.33 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -155.34 -177.1 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -37.77 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -18.7 48.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 19' ' ' THR . . . 142.41 166.3 10.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -81.24 114.79 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.745 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -86.43 137.77 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.649 HD23 ' CB ' ' A' ' 16' ' ' ALA . 10.9 mt -111.43 134.97 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.619 ' HB2' HG12 ' A' ' 15' ' ' VAL . 3.3 m170 -120.2 128.6 53.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.577 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.707 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.9 p90 -136.21 177.89 7.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -124.53 153.73 69.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 152.29 40.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.543 ' HG3' HD11 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.99 123.22 7.73 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.54 -19.22 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -113.11 81.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.79 150.65 44.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -75.03 -33.94 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 34' ' ' PRO . 13.8 mtmt -161.02 -104.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -113.41 147.93 36.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -82.67 121.03 26.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -20.2 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.637 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 143.21 159.48 7.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 37' ' ' LEU . 84.9 m-85 -102.04 176.8 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.98 HG12 ' OE1' ' A' ' 43' ' ' GLU . 62.5 t -131.23 104.04 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 54' ' ' LEU . 2.7 tm? -85.45 118.94 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.98 ' OE1' HG12 ' A' ' 41' ' ' VAL . 1.6 mp0 -112.26 173.07 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.71 167.5 40.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 20.4 ptt180 -176.53 150.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.717 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 42.1 mt-30 -81.84 179.1 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.87 108.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 p 42.38 50.67 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -107.65 -172.21 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.31 144.81 22.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -73.16 112.04 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.2 pt-20 -107.2 114.88 29.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.573 HG22 ' OE2' ' A' ' 43' ' ' GLU . 82.4 t -57.4 107.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 42' ' ' LEU . 31.5 mt -77.13 -42.84 36.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.86 106.95 2.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -74.98 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.33 104.26 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' ALA . 57.3 t -126.5 121.86 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -32.56 128.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.42 52.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.7 p -110.88 -17.5 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.581 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 mm-40 -58.1 160.03 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 18.4 p -136.72 9.79 3.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.591 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -168.45 169.99 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.672 HD23 ' HG ' ' A' ' 42' ' ' LEU . 4.0 tp -165.37 149.72 8.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -96.83 142.57 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.702 HG11 HD13 ' A' ' 54' ' ' LEU . 60.0 t -143.19 77.06 16.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -8.71 20.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.642 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -72.95 53.64 1.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.039 HD12 HG11 ' A' ' 23' ' ' VAL . 6.4 mt -116.79 158.96 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.661 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.3 mm -106.25 171.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.551 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -104.16 149.51 25.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.5 t0 72.8 8.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG21 ' HB ' ' A' ' 71' ' ' ILE . 4.0 m -121.6 170.81 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.47 94.93 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.721 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.1 m-85 -81.47 133.58 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 3.0 mt-10 -97.88 -177.66 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.723 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.5 m-85 -161.53 158.89 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 5.0 ptt180 -165.83 129.94 2.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.707 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 7.0 tp -102.54 145.53 29.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.905 HG13 ' O ' ' A' ' 89' ' ' SER . 49.6 t -138.58 105.86 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 89' ' ' SER . . . -74.31 136.12 42.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 41' ' ' VAL . 20.2 p90 -145.02 133.07 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -119.51 106.85 12.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.21 8.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.5 19.1 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.05 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 2.9 m-85 -113.3 140.77 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.63 138.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.905 ' O ' HG13 ' A' ' 81' ' ' VAL . 43.7 p -103.09 166.12 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.36 155.85 92.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.586 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.0 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' ASN . 60.2 p -44.05 167.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.439 HD21 ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.55 147.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -81.19 134.93 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -123.53 144.52 49.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 53.0 p30 -150.94 167.03 28.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.502 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -126.5 166.5 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.76 121.07 42.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.9 p -103.22 44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 p -93.9 -26.34 16.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -115.78 37.67 3.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.784 HD23 ' HB2' ' A' ' 103' ' ' SER . 0.1 OUTLIER -88.8 151.96 22.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.784 ' HB2' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER 72.68 -70.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -169.17 162.96 36.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.51 23.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.447 1.762 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 125.08 6.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.22 121.32 44.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -121.94 163.64 18.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -121.71 36.92 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.48 54.1 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -174.74 169.12 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' HG ' ' HE2' ' A' ' 87' ' ' PHE . 6.3 m -134.49 -56.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.1 61.9 0.4 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 34' ' ' PRO . 53.6 tp -119.14 121.94 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 56.5 p -86.46 141.25 34.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.04 174.65 12.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.99 176.54 9.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -154.31 -175.68 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 42.36 44.51 5.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 27' ' ' TRP . 59.9 tp -88.71 125.16 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -146.94 169.52 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -129.56 147.69 51.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 24' ' ' LEU . 1.5 p -142.47 104.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.661 ' NH1' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.56 119.76 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.3 p -121.68 -175.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.93 -27.16 10.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.62 ' O ' HD21 ' A' ' 66' ' ' LEU . 1.1 mtt-85 -92.38 -17.91 24.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' THR . . . 150.88 -173.93 30.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 70' ' ' LEU . 1.5 m -97.18 114.13 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HB3' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -84.24 128.47 34.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 42' ' ' LEU . 10.5 mt -107.04 113.97 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 2.2 m170 -100.32 120.84 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.67 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 20.6 p90 -128.66 171.92 11.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ARG . 2.7 m-20 -116.83 151.4 47.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.0 Cg_endo -75.04 154.65 42.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 114.06 3.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HB2' ' NH2' ' A' ' 12' ' ' ARG . 2.6 tt0 -65.04 -30.11 71.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.2 mt -111.79 108.52 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.641 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -135.89 148.68 66.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.04 -32.73 5.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 33.1 mttt -150.07 -111.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -117.92 155.63 29.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.61 ' CD2' ' CG ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -79.23 107.05 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -35.01 75.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.98 155.37 7.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.589 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 64.0 m-85 -100.93 177.53 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.7 t -132.0 106.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 65' ' ' LEU . 2.4 tp -83.91 116.61 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.0 mt-10 -123.61 119.63 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.94 -178.23 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 12.5 ptt180 179.38 146.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.646 ' OE1' HG21 ' A' ' 74' ' ' VAL . 12.4 pt20 -123.49 131.98 53.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.19 16.99 63.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.416 1.073 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 61.9 m 61.67 41.77 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.32 -162.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.95 132.15 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 94.9 m95 -61.43 121.52 12.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.4 pt-20 -110.08 109.43 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.6 t -49.8 104.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 67' ' ' VAL . 36.3 mt -71.45 -47.61 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 2.5 t0 -145.5 106.51 4.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.86 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.41 107.2 18.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' ALA . 94.5 t -125.66 129.09 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.13 124.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.31 -9.22 54.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.0 p -105.16 -13.49 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -66.27 146.23 54.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.83 9.23 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.638 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -172.45 173.45 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.859 HD23 HD23 ' A' ' 42' ' ' LEU . 12.7 tp -166.32 154.87 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 21' ' ' ARG . 1.7 tp -100.62 139.5 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.574 HG11 ' HE1' ' A' ' 78' ' ' PHE . 69.4 t -130.68 84.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.0 2.54 6.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -79.06 27.04 2.37 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 23' ' ' VAL . 3.0 mt -107.39 160.04 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.612 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -127.46 -155.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.822 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -122.52 157.4 32.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 65.3 21.37 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.646 HG21 ' OE1' ' A' ' 46' ' ' GLN . 18.6 m -136.81 156.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -117.61 92.93 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.74 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.1 m-85 -82.95 126.05 32.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 10.3 mt-10 -90.64 -177.89 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.77 ' HZ ' HD11 ' A' ' 70' ' ' LEU . 80.3 m-85 -162.75 149.02 12.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 7.2 ptt180 -155.07 122.69 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.67 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.4 tp -102.08 140.22 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -137.32 109.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.18 136.94 42.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 10.1 p90 -142.22 134.08 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -116.83 108.13 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.44 -109.53 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.36 -13.96 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 84' ' ' ALA . 64.8 m-85 -86.15 132.6 33.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.08 142.1 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 82' ' ' ALA . 5.3 p -109.41 158.53 17.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.6 m-20 -69.3 156.0 92.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 93' ' ' ASN . 46.5 p -45.98 176.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' SER . 9.6 p-10 -43.89 170.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m -101.11 131.81 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -120.85 146.3 46.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.561 ' HB2' HD12 ' A' ' 75' ' ' LEU . 39.3 p30 -150.11 159.27 44.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.878 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -116.78 147.19 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 t -110.77 151.42 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.822 HG21 ' HA ' ' A' ' 72' ' ' LYS . 9.1 t -149.26 30.7 0.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -71.16 -30.78 66.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.78 51.46 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.661 HD12 ' NH1' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -108.2 175.01 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 t -64.02 123.02 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.83 155.01 7.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.42 33.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.9 t -158.44 107.11 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.1 m -132.63 121.59 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -143.19 -60.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 29.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.43 124.69 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 64.44 94.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 t -161.84 103.74 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.69 26.64 5.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 61.2 tp -114.23 119.59 37.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -84.88 148.64 51.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.963 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.07 166.89 28.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 166.39 29.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -141.12 -179.23 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 50.16 35.05 25.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.036 HD12 ' O ' ' A' ' 93' ' ' ASN . 2.2 tm? -80.42 115.15 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.3 m -141.59 168.01 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.92 122.31 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.842 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -112.67 117.54 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' HG23 ' A' ' 97' ' ' VAL . 5.6 tmm_? -69.84 127.59 33.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -130.91 167.49 21.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.7 -13.32 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.2 -135.53 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.682 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.9 t -131.69 122.96 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' CD ' ' A' ' 64' ' ' GLU . 5.0 tp -97.1 102.94 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.811 HD23 HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -81.21 110.61 16.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.842 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.5 m170 -98.38 125.13 43.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.565 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.777 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.4 p90 -136.03 178.72 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -125.02 152.84 71.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -75.02 152.25 40.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.99 116.09 4.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.39 -10.06 59.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' LEU . 8.8 mt -124.99 93.46 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.51 151.05 62.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.4 mtmt -158.29 -104.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.3 149.06 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD22 ' CZ ' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.52 129.7 34.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.29 -20.2 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . . . 132.7 159.2 9.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.726 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 12.1 m-85 -102.4 178.9 4.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.07 106.93 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.811 HD21 HD23 ' A' ' 25' ' ' LEU . 19.9 tp -74.54 119.91 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.3 mt-10 -124.27 113.24 18.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -123.35 177.62 16.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 8.1 ptt180 179.87 148.66 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' NE2' ' OH ' ' A' ' 76' ' ' TYR . 3.2 pt20 -114.15 137.79 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.78 37.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.3 m -110.34 44.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -174.68 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.02 140.76 16.57 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -57.17 110.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 4.8 pt-20 -103.02 114.1 28.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 41' ' ' VAL . 61.4 t -61.45 109.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 67' ' ' VAL . 29.3 mt -69.17 -40.51 78.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.15 105.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.12 100.3 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.7 t -126.29 133.09 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.29 123.02 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . -67.34 -9.16 54.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.5 p -108.82 -12.79 14.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.681 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -63.4 159.61 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 p -130.52 3.69 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.686 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -170.67 173.1 5.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.0 tp -166.53 154.14 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 6.7 tp -93.73 142.99 26.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 54' ' ' LEU . 47.8 t -134.98 82.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.52 21.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -77.04 53.1 3.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.664 ' CD1' HG21 ' A' ' 23' ' ' VAL . 1.5 mt -113.28 159.69 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.797 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.2 mm -112.37 160.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.16 145.27 26.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t0 72.46 27.8 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.797 HG21 ' HB ' ' A' ' 71' ' ' ILE . 14.5 m -141.05 173.82 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -127.04 94.78 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.645 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -80.88 130.38 35.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.2 mt-10 -91.54 -177.8 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CE2' HG11 ' A' ' 23' ' ' VAL . 59.6 m-85 -163.54 140.33 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -154.11 127.09 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.777 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.5 tp -102.04 139.96 36.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -124.92 103.61 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.82 110.08 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 39' ' ' GLY . 11.5 p90 -121.23 139.95 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -126.55 105.15 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.9 90.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.3 t 89.21 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 88.7 m-85 -57.85 124.54 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -123.5 112.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.562 ' O ' HG12 ' A' ' 81' ' ' VAL . 51.5 p -76.45 168.51 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.467 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -72.14 153.02 92.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.08 103.86 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 93' ' ' ASN . 37.5 p -36.76 156.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 1.036 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 p-10 -35.67 151.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -81.61 144.38 31.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD13 ' A' ' 14' ' ' LEU . . . -135.55 147.62 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.525 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -149.61 165.78 31.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.635 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -134.18 137.66 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t -83.87 152.23 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.445 ' OG1' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -142.03 66.29 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.3 -0.57 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.31 -36.68 1.08 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -55.52 157.15 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.8 t 68.62 -71.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.95 116.02 0.69 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.85 42.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.565 1.824 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -171.87 138.15 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.75 103.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -155.73 156.55 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.756 . . . . 0.0 109.968 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -96.87 22.79 7.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 158.81 42.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -88.35 138.1 31.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -144.91 109.47 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.87 33.68 3.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 34' ' ' PRO . 32.7 tp -107.08 125.13 50.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -90.72 145.07 31.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.98 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.01 176.99 9.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -149.66 171.8 16.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 48.31 56.55 9.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -94.64 118.92 32.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -130.98 167.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.607 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -144.56 114.05 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 24' ' ' LEU . 1.3 p -111.08 107.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -65.64 139.48 58.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.723 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 60.7 p -137.39 173.81 5.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.723 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 5.76 3.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -134.25 10.15 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.684 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 133.63 -148.19 19.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.902 ' CG1' HD11 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -132.91 124.21 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.688 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.47 104.63 17.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.607 HD23 ' CB ' ' A' ' 16' ' ' ALA . 1.1 mt -88.89 134.8 33.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.476 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -121.64 117.67 27.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.784 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -124.97 176.6 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.14 150.67 57.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.12 35.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.544 1.813 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.539 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.97 121.17 6.42 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -76.69 -22.02 54.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.4 mt -111.73 87.82 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.652 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -121.5 149.35 52.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -33.65 4.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.7 mtmt -150.9 -108.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 156.03 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.08 110.02 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -38.71 84.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.78 150.84 5.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 55.8 m-85 -96.7 177.11 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.592 HG13 HG23 ' A' ' 81' ' ' VAL . 1.2 p -134.65 111.72 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.035 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.21 110.47 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.801 ' CG ' HG22 ' A' ' 53' ' ' VAL . 3.5 mt-10 -116.44 115.18 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.75 177.61 16.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 6.9 ptt180 177.09 149.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.636 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.7 pt20 -112.09 151.23 29.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.49 -129.1 36.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -116.33 44.41 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -176.55 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.46 142.14 22.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 67.0 m95 -59.1 111.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.3 pt-20 -100.05 110.06 22.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.801 HG22 ' CG ' ' A' ' 43' ' ' GLU . 94.8 t -62.51 105.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.035 HD12 ' CD1' ' A' ' 42' ' ' LEU . 21.7 mt -64.56 -44.39 90.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -165.42 104.69 0.76 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HA ' HG23 ' A' ' 41' ' ' VAL . 18.5 Cg_endo -74.97 -16.63 20.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.98 100.69 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.0 t -126.26 136.87 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.615 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.9 128.16 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.09 -9.71 72.16 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.0 p -107.88 -8.98 15.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 0.73 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.615 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -71.15 157.89 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.407 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 20.4 p -133.08 6.82 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 2.4 pm0 -167.84 164.57 14.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.7 tp -155.63 152.64 28.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 tp -113.47 128.39 56.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.544 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 71.3 t -119.78 105.18 43.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.2 Cg_endo -75.03 -11.69 21.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -54.8 -109.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.902 HD11 ' CG1' ' A' ' 23' ' ' VAL . 11.1 mt 46.56 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.615 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.4 mt -149.35 -150.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.615 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -131.52 149.05 52.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.497 ' C ' HG13 ' A' ' 74' ' ' VAL . 7.1 m-20 62.34 41.18 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 99' ' ' THR . 19.4 m -156.33 155.48 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -114.28 96.17 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 2.4 m-85 -81.76 125.47 30.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.8 mt-10 -90.12 -179.15 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 77.9 m-85 -162.68 146.98 11.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -151.26 128.94 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.784 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.82 133.5 47.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.758 HG22 ' HB3' ' A' ' 91' ' ' PRO . 0.8 OUTLIER -125.68 105.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -76.61 110.55 11.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.629 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 25.9 p90 -120.39 129.01 53.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -113.27 108.0 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.89 -112.9 1.37 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.158 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -26.34 53.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.808 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' ALA . 84.0 m-85 -78.22 134.28 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 83' ' ' PHE . 2.2 t -131.62 124.22 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 81' ' ' VAL . 7.0 p -91.26 167.92 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.7 m-20 -78.2 157.13 78.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.758 ' HB3' HG22 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 110.26 3.08 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.439 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 35.7 p -44.33 170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 92' ' ' SER . 9.9 p-10 -39.03 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -94.48 134.74 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -104.48 155.85 18.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.751 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -149.9 143.56 25.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.732 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.5 m -128.59 158.1 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.7 t -107.21 156.19 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -149.41 54.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.6 t -112.94 -31.38 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.36 45.99 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 mp -93.3 171.31 9.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.4 t 54.84 85.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.99 -113.21 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.99 5.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 t -173.87 136.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.4 m -111.72 140.84 46.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -168.78 120.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.013 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -123.1 20.16 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -38.03 -84.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.85 74.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -118.0 154.2 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.86 18.54 1.79 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 84' ' ' ALA . 45.5 tp -112.27 121.41 44.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 m -88.93 145.35 34.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -74.99 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 179.35 6.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -149.43 168.7 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.28 71.71 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 27' ' ' TRP . 63.6 tp -107.99 114.13 27.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.5 m -127.24 162.84 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 97' ' ' VAL . . . -131.04 109.37 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 24' ' ' LEU . 2.6 p -98.05 100.95 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -66.53 127.57 32.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 22' ' ' GLY . 1.5 p -128.39 -177.87 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -10.48 21.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -112.23 -10.51 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.584 ' O ' HG23 ' A' ' 19' ' ' THR . . . 143.76 -171.69 25.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.047 HG11 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -105.5 114.43 44.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.641 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -83.52 110.96 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.011 HD23 HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -79.95 132.15 35.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.539 ' CE1' HG11 ' A' ' 17' ' ' VAL . 5.6 m170 -118.55 108.37 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.746 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 34.9 p90 -119.34 171.58 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 108.017 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.76 151.86 49.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.67 34.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' CG ' HD11 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.01 122.18 7.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.04 -12.71 60.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.9 mt -117.84 83.1 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.765 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -117.68 151.76 48.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.765 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.97 -34.57 3.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' H ' HG23 ' A' ' 33' ' ' VAL . 6.5 mttt -162.58 -101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -111.75 146.91 36.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.886 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -79.08 124.01 27.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.41 -24.24 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.59 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.5 154.88 6.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.886 ' CE1' HD22 ' A' ' 37' ' ' LEU . 43.7 m-85 -96.95 178.26 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 81' ' ' VAL . 1.4 p -139.49 105.94 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD23 ' A' ' 25' ' ' LEU . 16.5 tp -78.73 125.09 28.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 3.3 mt-10 -127.86 116.91 20.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.84 -179.19 16.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 11.5 ptt180 174.47 152.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.731 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.773 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 6.3 mp0 -88.97 149.3 23.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 33.0 -98.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.16 38.78 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.87 -174.37 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.99 138.13 21.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 70.8 m95 -63.48 101.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' ' 54' ' ' LEU . 3.7 pt-20 -91.62 117.55 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' HD3' ' A' ' 56' ' ' PRO . 50.0 t -63.28 105.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD13 HG11 ' A' ' 67' ' ' VAL . 8.7 mt -68.74 -52.49 30.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -157.86 101.75 1.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HD3' HG12 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.0 -19.91 17.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.82 96.0 6.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' A' ' 59' ' ' ALA . 92.7 t -126.56 120.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -27.21 137.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' LEU . . . -81.0 11.1 44.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.8 p -127.03 0.54 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.826 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.7 mm-40 -76.81 153.05 35.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.15 1.33 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.616 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -167.45 166.94 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 42' ' ' LEU . 7.9 tp -161.67 153.12 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 4.7 tp -99.38 139.35 35.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.821 HG11 HD13 ' A' ' 54' ' ' LEU . 87.2 t -138.08 86.11 18.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLY . 18.2 Cg_endo -75.0 -21.33 15.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' PRO . . . -35.91 -43.31 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.047 HD12 HG11 ' A' ' 23' ' ' VAL . 2.5 mt -39.71 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.639 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -115.13 -153.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.639 ' H ' HG22 ' A' ' 71' ' ' ILE . 1.1 mtmt -128.2 136.94 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 1.4 t70 83.28 19.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.6 157.53 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -113.3 95.14 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 70' ' ' LEU . 2.0 m-85 -84.02 136.49 34.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.0 mt-10 -95.15 179.0 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.934 ' HB2' ' HB3' ' A' ' 95' ' ' ALA . 66.4 m-85 -160.32 149.14 17.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 6.0 ptt180 -159.97 128.7 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -103.15 143.15 32.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -130.61 105.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -77.21 109.83 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 12.7 p90 -120.01 138.22 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -125.86 106.47 9.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.541 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 24.5 94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER 86.96 -61.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' ALA . 96.8 m-85 -58.15 119.49 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.68 112.03 35.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 26.9 p -75.95 166.82 22.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -73.11 155.68 90.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -74.99 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 91' ' ' PRO . 22.0 p -39.56 164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' SER . 7.6 p-10 -37.1 155.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.1 m -83.86 136.27 34.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -108.48 125.64 52.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.512 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -112.43 147.94 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.678 HG23 ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -121.32 147.33 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 t -112.47 158.72 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.22 69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 110.419 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -111.86 -32.07 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.38 55.32 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.512 ' C ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -92.88 147.72 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 102' ' ' LEU . 4.9 t 78.87 -69.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.31 117.7 2.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.03 113.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.0 p -173.49 126.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 117.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 p -116.03 33.93 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.24 63.11 3.74 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.567 1.167 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -114.28 -63.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -44.44 128.98 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.66 45.36 0.75 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 33' ' ' VAL . 58.1 tp -105.32 117.64 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -84.5 140.25 38.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.95 174.41 12.81 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.82 17.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -145.79 171.0 15.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' TRP . . . 45.5 65.23 2.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' HIS . 11.0 tp -104.57 115.93 31.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.8 m -131.61 149.57 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB2' HD12 ' A' ' 25' ' ' LEU . . . -111.48 117.97 34.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 26' ' ' HIS . 4.1 p -106.96 108.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -66.69 123.48 20.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.425 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.4 p -125.77 169.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.08 10.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -113.34 -13.12 12.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.28 -147.01 16.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.022 HG21 HD12 ' A' ' 70' ' ' LEU . 5.8 t -125.12 118.46 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -96.56 123.64 40.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.805 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.31 109.17 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.509 ' CE1' HG11 ' A' ' 17' ' ' VAL . 4.3 m170 -92.28 109.03 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.551 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.733 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 30.5 p90 -118.01 177.4 4.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 108.047 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.93 147.96 45.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.15 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.93 12.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.62 -48.76 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.4 mt -77.09 113.75 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -139.05 142.42 33.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.01 -14.39 21.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.8 -88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -135.14 173.46 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.79 116.2 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.34 -34.33 36.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.576 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 157.26 156.08 7.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.585 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 72.5 m-85 -103.32 176.86 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 0.715 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.85 104.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 67' ' ' VAL . 2.5 tm? -90.02 116.46 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -111.22 170.44 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.54 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -167.77 176.43 42.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 3.2 ptt180 178.23 147.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.629 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 10.9 pt20 -115.84 129.76 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 -132.8 14.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -114.47 44.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -173.1 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.38 144.71 20.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -60.59 124.41 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.0 pt-20 -109.64 127.3 54.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.3 102.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.941 HD13 HG11 ' A' ' 67' ' ' VAL . 28.8 mt -71.47 -48.37 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.655 ' OD2' HD11 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -145.89 102.99 4.17 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.95 -44.99 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.93 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 59' ' ' ALA . 34.8 t -127.22 122.68 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.846 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -33.34 139.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.64 17.3 35.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.9 p -129.34 3.61 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.76 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.846 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.1 mm-40 -88.4 162.99 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -132.36 4.01 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.805 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.42 164.81 35.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.655 HD11 ' OD2' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.42 138.45 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' H ' HD22 ' A' ' 65' ' ' LEU . 3.6 tp -92.85 129.31 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.941 HG11 HD13 ' A' ' 54' ' ' LEU . 79.3 t -131.36 83.28 59.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.09 21.49 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.572 ' C ' HD23 ' A' ' 70' ' ' LEU . . . -72.62 54.13 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.022 HD12 HG21 ' A' ' 23' ' ' VAL . 2.4 mt -114.71 159.2 20.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.1 mm -113.97 162.13 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.878 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -98.63 158.73 15.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 67.17 9.65 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.758 HG21 ' HB ' ' A' ' 71' ' ' ILE . 16.5 m -127.38 173.94 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -126.26 94.16 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.2 m-85 -81.84 125.94 31.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -91.53 -178.97 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.86 ' CE2' HG11 ' A' ' 23' ' ' VAL . 54.5 m-85 -157.88 157.13 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -167.54 127.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.7 tp -100.62 149.95 23.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 89' ' ' SER . 38.5 t -140.28 104.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.57 136.52 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.8 p90 -143.98 134.69 25.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' PHE . . . -122.34 107.17 11.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.56 -116.39 9.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.55 17.0 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 4.6 m-85 -112.39 130.53 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.16 125.48 73.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.841 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.0 p -88.49 161.04 17.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 3.5 m-20 -68.54 155.55 92.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.683 ' HA ' HG22 ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.96 108.77 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 93' ' ' ASN . 28.6 p -43.48 172.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -43.12 171.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.474 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 0.2 OUTLIER -106.43 129.77 54.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -125.74 151.04 47.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.666 ' CG ' HD11 ' A' ' 75' ' ' LEU . 17.1 p30 -150.96 168.41 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 m -123.39 165.78 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -122.22 157.26 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.878 HG21 ' HA ' ' A' ' 72' ' ' LYS . 9.4 t -148.29 22.18 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 p -62.14 -27.37 68.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.84 -27.6 73.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.43 162.92 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.786 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.34 79.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.22 156.69 15.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 63.08 5.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 t 43.92 89.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.11 170.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 p -150.4 108.28 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.79 32.44 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.93 172.56 16.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -100.45 121.85 42.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -150.52 106.5 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 110.01 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.85 14.09 9.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp -88.75 120.83 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 32' ' ' LEU . 67.2 p -82.05 141.54 47.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.4 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ASP . 2.0 mtt180 -158.98 171.7 19.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 59.52 13.95 25.67 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 93' ' ' ASN . 17.5 tp -58.49 101.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HB2' ' A' ' 26' ' ' HIS . 7.3 p -123.1 150.11 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . . . -110.61 147.43 34.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.81 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -141.72 103.04 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 130.08 42.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.46 175.95 3.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.28 9.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.774 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -115.77 -16.77 11.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.241 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.73 -153.16 25.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 78' ' ' PHE . 4.2 t -113.45 123.24 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 17' ' ' VAL . 4.8 tp -97.84 102.43 14.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -80.68 109.43 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.81 ' CE1' HG11 ' A' ' 17' ' ' VAL . 2.7 m170 -96.07 109.22 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.791 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 42.0 p90 -116.89 177.78 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 108.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -122.58 150.81 58.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.73 28.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 18.1 Cg_endo -75.0 111.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.2 tp10 -65.47 -20.71 66.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.1 mp -105.56 92.15 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.6 t -120.57 143.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.694 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.97 -15.32 20.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -171.56 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -131.02 170.13 14.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -95.12 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.16 -36.04 48.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.543 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 157.38 155.83 7.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HG ' ' A' ' 37' ' ' LEU . 84.9 m-85 -102.73 177.03 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.74 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.8 t -135.83 106.54 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -89.62 110.77 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' N ' HD22 ' A' ' 42' ' ' LEU . 4.5 mt-10 -112.88 128.96 56.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -129.64 -179.63 16.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.152 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 17.1 ptt180 -179.23 146.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.712 ' OE1' HG21 ' A' ' 74' ' ' VAL . 11.6 pt20 -125.9 136.65 53.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.5 36.65 68.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.86 18.33 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.59 136.21 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 95.2 m95 -57.06 105.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 3.7 pt-20 -101.01 102.2 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.7 t -41.31 102.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.851 ' HB2' HD13 ' A' ' 42' ' ' LEU . 72.7 mt -67.86 -35.62 78.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.5 ' OD2' HG22 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -157.47 106.64 1.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.07 108.77 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' OD2' ' A' ' 55' ' ' ASP . 94.5 t -125.83 127.92 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -39.05 128.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.44 -4.78 58.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.6 p -111.71 -3.42 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 mm-40 -78.53 140.57 38.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -113.13 2.23 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.632 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -166.37 163.4 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 3.0 tp -155.42 151.74 28.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 24.9 tp -91.01 148.02 22.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 54' ' ' LEU . 2.8 t -142.0 82.51 13.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.78 20.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' LEU . . . -49.27 -55.2 13.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.906 HD12 ' CD1' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -39.11 158.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.68 HG22 ' H ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -128.62 -172.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.902 ' HA ' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -102.37 172.45 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.509 ' H ' HG23 ' A' ' 99' ' ' THR . 0.1 OUTLIER 60.06 14.12 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.712 HG21 ' OE1' ' A' ' 46' ' ' GLN . 17.1 m -136.56 165.85 27.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -124.99 93.1 3.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.906 ' CD1' HD12 ' A' ' 70' ' ' LEU . 1.3 m-85 -83.57 146.09 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.601 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 13.0 mt-10 -104.22 -176.84 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.766 ' HE2' HG13 ' A' ' 97' ' ' VAL . 59.6 m-85 -160.11 156.24 26.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.531 ' HD3' ' CE3' ' A' ' 51' ' ' TRP . 6.0 ptt180 -166.81 124.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.791 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 2.1 tp -102.04 136.84 41.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.989 HG13 ' O ' ' A' ' 89' ' ' SER . 33.4 t -128.55 102.29 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -73.8 129.01 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 12.2 p90 -136.21 135.77 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -118.71 104.78 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.26 89.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 1.4 t 90.07 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 85.5 m-85 -57.88 124.24 18.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.72 131.0 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.989 ' O ' HG13 ' A' ' 81' ' ' VAL . 24.6 p -96.51 161.06 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 18.7 m-20 -68.48 156.93 89.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.95 101.89 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.477 ' O ' ' O ' ' A' ' 91' ' ' PRO . 63.3 p -39.05 163.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.044 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.811 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -33.84 145.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.77 131.06 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -115.63 144.79 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 7.4 p30 -150.91 151.94 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.766 HG13 ' HE2' ' A' ' 78' ' ' PHE . 2.3 m -111.64 167.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.6 t -131.7 155.54 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.902 HG21 ' HA ' ' A' ' 72' ' ' LYS . 11.0 t -158.88 44.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -90.78 -32.4 16.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.47 56.38 0.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.739 ' C ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -105.34 152.3 23.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 p 50.0 50.16 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -121.43 -152.5 8.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.428 1.08 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.487 1.783 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.26 103.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.2 t -55.71 -56.94 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.93 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 0.785 . . . . 0.0 109.97 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.49 34.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.29 -148.13 18.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.23 -50.13 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t 60.29 121.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.51 41.68 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD13 ' HD2' ' A' ' 34' ' ' PRO . 39.7 tp -96.04 125.81 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 60.5 p -88.69 138.16 29.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 174.42 12.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.4 Cg_endo -74.98 175.87 10.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 8.6 mtt180 -149.64 166.94 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.68 51.47 54.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.52 105.23 17.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -120.14 169.62 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -141.03 122.09 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -124.04 110.49 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' NH2' ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -72.5 148.09 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -151.16 -174.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -8.69 20.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.925 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.43 17.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 114.02 -148.83 18.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.098 HG13 HG23 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -123.85 127.12 73.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 26' ' ' HIS . 1.8 tp -93.13 111.46 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.771 HD21 ' CD2' ' A' ' 78' ' ' PHE . 9.0 mt -94.08 113.49 25.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.2 m170 -98.52 128.92 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.574 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.712 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 16.6 p90 -136.02 170.08 16.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -115.32 149.97 43.69 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.07 149.85 36.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 118.35 5.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.79 -19.61 51.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -113.47 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.554 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.34 151.59 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -39.05 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 13.3 mmtt -142.19 -111.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -118.36 151.63 37.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 106.4 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -35.23 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.612 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 159.25 151.33 6.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.588 1.18 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 62' ' ' GLU . 54.6 m-85 -96.89 177.85 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.505 ' HB ' HG13 ' A' ' 81' ' ' VAL . 71.6 t -136.28 107.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.781 HD22 HD23 ' A' ' 65' ' ' LEU . 51.2 tp -85.45 118.93 25.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -122.7 128.71 50.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.649 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -130.91 -179.75 16.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 48' ' ' SER . 13.1 ptt180 178.78 146.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 1.9 pt20 -118.45 160.7 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 23.5 4.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 47.0 m 62.2 34.84 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -172.2 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.21 138.62 45.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -62.45 137.86 58.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 54' ' ' LEU . 1.9 mt-10 -123.31 124.72 43.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 56' ' ' PRO . 40.1 t -63.59 92.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.649 HD11 ' HA3' ' A' ' 44' ' ' GLY . 8.8 mt -64.72 -37.57 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.4 t0 -157.92 102.81 1.76 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.421 ' HB3' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.35 108.21 18.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' OE2' ' A' ' 62' ' ' GLU . 53.3 t -127.06 130.6 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' CG ' ' A' ' 62' ' ' GLU . . . -34.26 150.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.27 -0.54 65.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -122.46 31.93 5.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' OE1' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -106.77 167.24 10.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -140.04 10.71 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.635 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.3 pt-20 -178.93 166.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD23 HD22 ' A' ' 42' ' ' LEU . 5.6 tp -159.38 154.31 24.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.925 HD21 ' O ' ' A' ' 21' ' ' ARG . 14.5 tp -91.66 147.27 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.098 HG23 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.8 66.48 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.37 19.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -64.71 -17.82 63.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -44.98 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 0.786 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -117.29 170.51 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -100.21 144.69 28.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.459 ' C ' HG13 ' A' ' 74' ' ' VAL . 1.8 t0 69.95 36.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.678 HG21 ' HB ' ' A' ' 71' ' ' ILE . 15.0 m -153.95 163.06 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -120.9 96.05 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.939 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -83.57 137.46 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 2.1 mt-10 -92.81 -177.85 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HD21 ' A' ' 25' ' ' LEU . 44.6 m-85 -158.82 144.29 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 7.6 ptt180 -155.63 122.29 5.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 3.8 tp -102.39 136.58 41.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -135.65 107.14 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.4 143.62 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.66 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 8.3 p90 -145.26 133.51 21.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . . . -123.03 145.32 48.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.93 -125.85 1.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.59 30.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 4.0 m-85 -119.77 159.77 23.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.02 126.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.0 p -91.64 157.91 16.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 1.0 OUTLIER -69.38 154.9 94.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.94 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' ASN . 63.7 p -42.95 167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 12.0 p-10 -37.36 155.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 49.6 m -91.55 144.68 25.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -117.31 160.17 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.57 ' CB ' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -150.62 156.61 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -142.44 166.26 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -117.54 155.29 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -141.07 37.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -75.78 -32.92 60.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.18 43.48 1.71 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.65 ' C ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -92.93 156.82 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t 42.28 63.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.23 149.28 16.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.6 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.54 119.5 38.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.63 -57.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.23 -64.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -71.52 -22.81 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.25 167.08 24.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.59 -41.17 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.483 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 18.3 m 57.92 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.53 40.94 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' HD2' ' A' ' 34' ' ' PRO . 56.2 tp -101.48 126.08 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 57.3 p -86.47 140.96 34.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.046 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.1 Cg_endo -75.03 173.45 14.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.25 16.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -148.88 175.35 11.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 51.6 43.59 53.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -86.07 118.96 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -138.73 169.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -139.98 113.96 8.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.691 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -109.7 108.98 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' C ' ' CG2' ' A' ' 19' ' ' THR . 3.8 tmm_? -66.9 145.9 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.558 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -155.57 -174.64 0.44 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.99 -38.8 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.809 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.43 -1.44 53.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 19' ' ' THR . . . 123.05 173.03 13.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.009 HG13 HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.88 122.22 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -90.75 110.23 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 78' ' ' PHE . 5.3 mt -87.65 124.94 34.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.691 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.8 m170 -112.87 125.65 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.683 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 27.3 p90 -131.97 177.46 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -124.18 150.89 64.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.82 37.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.93 121.54 6.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.2 mt -100.48 89.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -122.96 149.39 56.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.5 Cg_endo -74.96 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' H ' HG23 ' A' ' 33' ' ' VAL . 8.8 mtpp -151.17 -107.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -116.94 152.22 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -77.72 103.93 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -36.72 70.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.639 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 155.36 151.74 5.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.73 ' OH ' HD23 ' A' ' 37' ' ' LEU . 70.2 m-85 -96.47 174.89 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -136.92 106.92 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.057 ' CD1' HD12 ' A' ' 54' ' ' LEU . 1.1 tm? -81.12 115.56 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -119.31 123.24 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.87 165.29 18.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLU . 35.8 ptt180 -166.09 156.67 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.611 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.4 mp0 -99.42 146.69 26.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' GLN . . . 35.99 -101.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m -129.72 41.66 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -175.79 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.43 130.4 10.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -49.82 110.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.57 130.14 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.82 95.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.057 HD12 ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -65.84 -51.2 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 1.3 t70 -161.16 103.47 1.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.97 -29.19 8.54 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.24 102.14 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' ALA . 64.7 t -126.67 121.7 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.885 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . . . -36.86 138.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.73 11.16 54.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -119.33 -1.77 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 0.728 . . . . 0.0 110.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.885 ' HG2' ' HB3' ' A' ' 59' ' ' ALA . 8.5 mm-40 -84.16 161.27 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.98 8.43 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 1.6 pm0 -169.48 167.12 10.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 66' ' ' LEU . 9.9 tp -153.59 154.55 34.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.809 HD21 ' O ' ' A' ' 21' ' ' ARG . 12.4 tp -99.91 140.9 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.009 HG23 HG13 ' A' ' 23' ' ' VAL . 2.7 m -142.44 66.52 19.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -7.01 18.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -65.3 -19.12 66.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 76' ' ' TYR . 0.8 OUTLIER -41.24 161.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.666 ' HB ' HG21 ' A' ' 74' ' ' VAL . 1.8 mm -109.25 170.79 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -106.17 140.43 39.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 82.18 23.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.666 HG21 ' HB ' ' A' ' 71' ' ' ILE . 35.3 m -142.8 171.31 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -124.72 94.88 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.895 ' HB2' HD13 ' A' ' 70' ' ' LEU . 3.3 m-85 -81.87 134.88 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 3.0 mt-10 -95.52 -179.56 4.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.695 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 41.7 m-85 -158.87 138.86 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 4.0 ptt180 -147.4 126.51 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.683 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.3 tp -102.71 135.81 43.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 89' ' ' SER . 0.2 OUTLIER -124.44 111.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -84.79 110.54 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.639 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 15.8 p90 -120.72 134.15 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -116.37 104.29 11.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 27.5 91.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.7 OUTLIER 90.41 -58.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.051 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 3.7 m-30 -57.98 127.11 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.96 107.82 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.626 ' O ' HG12 ' A' ' 81' ' ' VAL . 33.0 p -75.07 167.52 21.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -72.07 153.83 92.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 106.61 2.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.4 p -40.08 163.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' SER . 3.6 p-10 -37.36 155.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 2.5 m -88.09 142.45 27.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -127.55 149.97 49.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.658 ' HB2' HD12 ' A' ' 75' ' ' LEU . 45.2 p30 -151.0 166.92 29.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -143.06 134.0 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.25 141.88 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.402 ' HB ' HD23 ' A' ' 102' ' ' LEU . 12.2 p -126.0 60.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.6 p -113.25 -32.94 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.82 55.57 0.52 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -106.02 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t 44.14 76.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 83.4 178.33 52.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 134.61 18.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t 58.39 164.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.2 121.01 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.61 33.74 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.06 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.46 -105.74 1.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -112.54 165.16 12.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -131.89 159.92 37.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.05 -40.33 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.2 tp -73.09 113.18 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -69.42 142.39 92.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' HG3' ' HB3' ' A' ' 90' ' ' ASP . 18.5 Cg_endo -74.91 168.8 24.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' C ' ' CG ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.07 177.81 8.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.3 mtt180 -157.94 -178.58 7.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 54.04 18.5 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 93' ' ' ASN . 36.2 tp -63.88 103.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 26' ' ' HIS . 9.3 p -125.88 166.13 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB1' HG12 ' A' ' 97' ' ' VAL . . . -120.86 166.6 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -154.9 92.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HG3' HG21 ' A' ' 97' ' ' VAL . 3.4 ttt85 -66.52 97.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.563 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -100.81 -173.68 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -8.06 59.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 144.67 -172.64 25.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.046 HG11 HD12 ' A' ' 70' ' ' LEU . 1.7 m -101.33 114.15 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -81.84 151.35 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 42' ' ' LEU . 20.2 mt -125.58 122.12 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.596 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.1 m170 -111.34 119.5 39.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.698 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 33.5 p90 -124.19 173.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -116.82 147.23 39.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.83 25.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.19 2.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -49.69 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.1 mt -76.54 115.73 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.0 t -138.86 142.59 34.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.63 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -74.99 -12.53 21.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -177.17 -86.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -133.56 173.59 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -93.42 115.25 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.603 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 150.92 149.11 4.96 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 49.8 m-85 -97.97 176.16 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.47 104.72 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.698 ' CD1' HD12 ' A' ' 54' ' ' LEU . 3.1 tm? -87.42 118.66 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt-10 -115.57 170.7 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.548 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -165.24 168.52 39.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 178.89 146.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 7.1 pt20 -116.06 147.18 41.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.0 -121.26 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.29 42.25 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.53 -171.73 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -94.43 140.92 15.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -53.98 118.89 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 5.1 pt-20 -107.81 102.2 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -47.52 105.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.698 HD12 ' CD1' ' A' ' 42' ' ' LEU . 16.2 mt -75.09 -43.75 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -147.01 107.4 3.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.22 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.37 111.37 23.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' ALA . 91.1 t -125.81 130.9 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.648 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -38.81 132.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.86 -7.84 71.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 p -109.85 -13.11 14.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.648 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 1.2 mm-40 -63.64 143.69 57.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.96 8.32 11.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' C ' ' CH2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -169.73 173.11 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp -165.61 152.03 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.6 tp -97.65 143.71 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.826 HG11 ' HE1' ' A' ' 78' ' ' PHE . 49.5 t -143.12 78.33 15.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.66 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.902 ' O ' HD23 ' A' ' 70' ' ' LEU . . . -71.45 50.49 1.05 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HG11 ' A' ' 23' ' ' VAL . 12.9 mt -126.14 160.7 29.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 0.725 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.656 HG22 ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -118.69 -169.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.656 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -115.42 151.03 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 4.9 t70 82.03 -4.63 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.84 167.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -127.15 95.31 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.872 ' CG ' HD22 ' A' ' 70' ' ' LEU . 1.5 m-85 -82.23 134.51 35.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 6.3 mt-10 -99.37 -176.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.826 ' HE1' HG11 ' A' ' 67' ' ' VAL . 75.9 m-85 -162.63 149.35 13.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -154.37 129.89 9.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.698 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 6.1 tp -103.33 138.78 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 89' ' ' SER . 98.6 t -132.16 101.37 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.86 136.68 41.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.2 p90 -143.06 139.52 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.16 121.22 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.34 -94.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 m -118.12 15.58 14.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 14.5 m-85 -105.02 132.28 51.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.9 t -119.64 129.56 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.917 ' O ' HG13 ' A' ' 81' ' ' VAL . 42.6 p -94.62 164.87 12.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -70.44 153.07 95.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.0 Cg_endo -75.03 102.2 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.468 ' OG ' HD22 ' A' ' 14' ' ' LEU . 69.0 p -39.51 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.735 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -35.67 149.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.32 128.85 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -117.42 140.73 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.562 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 52.4 p30 -146.28 166.69 25.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.741 HG12 ' HB1' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -124.3 158.62 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -108.99 147.69 31.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -146.55 62.43 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -33.44 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -121.92 15.76 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.087 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -80.31 172.58 13.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.703 ' N ' HD22 ' A' ' 102' ' ' LEU . 22.9 t 38.75 56.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.955 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.6 32.58 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.04 40.28 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 t -127.87 168.91 14.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.06 156.43 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -104.95 104.17 13.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.11 28.23 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.96 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.39 -82.32 1.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -111.85 148.35 33.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 113.53 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.968 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.78 17.07 33.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 84' ' ' ALA . 50.1 tp -109.3 116.69 32.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 p -84.59 154.48 62.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.06 165.46 31.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' A' ' 92' ' ' SER . 18.3 Cg_endo -75.03 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' ASP . 7.4 mtt180 -149.8 173.73 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 49.09 51.7 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -90.89 117.6 29.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.76 168.9 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.595 ' CB ' HD23 ' A' ' 25' ' ' LEU . . . -145.9 119.11 8.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 24' ' ' LEU . 1.2 p -119.66 104.94 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CG ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -66.64 140.34 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -141.83 -178.28 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 1.3 7.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -130.3 19.1 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 19' ' ' THR . . . 119.17 -142.52 16.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.731 ' CG1' HD21 ' A' ' 70' ' ' LEU . 1.3 p -134.77 127.1 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.612 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -87.92 102.06 14.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD23 ' CB ' ' A' ' 16' ' ' ALA . 3.0 mt -89.6 125.52 35.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' HG ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -116.52 122.01 43.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.642 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 47.3 p90 -127.47 175.64 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -117.93 147.75 41.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.02 28.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -57.56 -27.33 62.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.3 mt -96.13 107.01 19.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HD2' ' A' ' 34' ' ' PRO . 2.1 t -129.53 142.36 45.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.629 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.4 Cg_endo -74.93 -16.36 20.43 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.563 1.823 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ARG . 3.4 tttt 175.91 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.347 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' LYS . 13.8 tpt180 -122.36 144.92 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -81.43 130.39 35.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 4.8 t0 -86.83 -28.24 23.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 143.45 169.72 12.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 56.5 m-85 -109.88 176.62 5.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.693 HG23 ' CE2' ' A' ' 83' ' ' PHE . 53.9 t -132.43 106.2 10.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.726 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -80.86 111.53 17.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.636 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -114.0 118.71 34.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.14 15.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 22.8 ptt180 179.2 153.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 3.3 pt20 -117.31 153.88 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.06 27.87 2.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m 65.82 32.41 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -69.33 -172.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.13 119.67 18.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 39.7 m95 -49.25 120.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 43' ' ' GLU . 1.1 pt-20 -116.94 136.67 52.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.7 m -84.69 108.76 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 67' ' ' VAL . 55.5 mt -68.41 -36.35 78.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 8.5 t0 -153.0 108.16 2.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.78 9.64 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.4 104.87 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' ALA . 80.7 t -124.88 129.12 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . . . -38.27 131.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.04 -2.01 57.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.6 p -110.68 -27.56 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.627 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 2.4 mm-40 -50.09 150.66 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -126.49 -2.92 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 39.8 mp0 -150.74 167.84 26.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.509 ' CD2' HD12 ' A' ' 42' ' ' LEU . 8.8 tp -157.31 144.54 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.6 126.87 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.815 HG12 ' CD1' ' A' ' 70' ' ' LEU . 76.7 t -117.72 101.48 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.578 ' HA ' ' CA ' ' A' ' 22' ' ' GLY . 18.1 Cg_endo -74.99 -11.23 21.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -56.39 -110.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.815 ' CD1' HG12 ' A' ' 67' ' ' VAL . 1.4 mp 45.62 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' CE1' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -146.51 -149.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.589 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -134.9 138.37 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.488 ' C ' HG13 ' A' ' 74' ' ' VAL . 3.7 t0 75.85 36.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ASP . 20.6 m -155.71 151.34 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.756 HD13 ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -103.31 96.86 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.652 ' CE1' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -81.53 124.15 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 4.3 mt-10 -91.06 179.73 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 23' ' ' VAL . 89.4 m-85 -164.22 134.63 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 9.5 ptt180 -138.65 130.86 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 5.7 tp -102.46 139.09 38.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 89' ' ' SER . 71.6 t -133.62 102.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -74.89 128.23 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.693 ' CE2' HG23 ' A' ' 41' ' ' VAL . 31.6 p90 -130.51 144.69 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -127.59 104.91 8.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 86' ' ' SER . . . 29.01 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 0.3 OUTLIER 86.16 -59.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 84' ' ' ALA . 9.6 m-30 -57.96 127.61 32.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -124.15 118.74 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.892 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.4 p -76.26 166.88 22.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 54.7 m-20 -72.89 155.67 90.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.624 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.02 107.42 2.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 11' ' ' PRO . 16.7 p -45.02 167.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 14' ' ' LEU . 6.8 p-10 -38.44 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -88.1 130.98 34.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' PHE . . . -102.23 147.26 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.721 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.7 p30 -142.23 141.48 32.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.756 ' O ' HD13 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -127.13 154.63 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 45.0 t -106.24 141.18 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' HD13 ' A' ' 102' ' ' LEU . 3.2 p -129.4 8.69 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 p -104.83 -23.17 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -112.43 35.08 4.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.41 HD22 ' NH2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -91.73 172.98 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t 46.92 69.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.29 108.5 0.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 t -171.55 117.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.6 p -131.18 140.04 49.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.36 110.34 15.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -121.31 35.23 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.35 72.45 0.25 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -178.13 168.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t 60.83 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.23 58.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HD2' ' A' ' 34' ' ' PRO . 42.9 tp -89.21 125.83 35.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -84.42 137.6 39.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.2 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -145.0 169.44 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 55.57 41.91 82.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 93' ' ' ASN . 0.3 OUTLIER -84.29 109.01 17.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.0 m -129.6 168.2 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 97' ' ' VAL . . . -132.9 109.1 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.545 HG11 ' CE1' ' A' ' 26' ' ' HIS . 3.8 p -101.46 116.54 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' NH1' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -67.48 121.55 16.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.456 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 1.6 p -118.66 165.89 15.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -117.62 -9.62 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.0 -138.8 6.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.843 HG11 ' CE2' ' A' ' 78' ' ' PHE . 2.7 t -129.16 115.48 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.597 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -89.8 114.51 26.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -92.72 111.61 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.597 ' NE2' ' HB3' ' A' ' 24' ' ' LEU . 6.3 m170 -97.85 125.48 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.554 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 31.2 p90 -135.67 177.48 7.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -123.03 154.02 64.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.45 35.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 124.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.12 -36.15 48.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 32' ' ' LEU . 6.7 mt -98.66 90.28 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.596 HG23 ' HD2' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -123.97 148.95 58.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 33' ' ' VAL . 18.3 Cg_endo -75.04 -33.43 4.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 33' ' ' VAL . 2.5 mttm -149.23 -106.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -124.9 151.13 45.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' OH ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -71.27 102.63 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 83' ' ' PHE . 5.9 t70 -62.62 -36.24 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 83' ' ' PHE . . . 163.2 151.51 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.621 ' OH ' HD23 ' A' ' 37' ' ' LEU . 93.0 m-85 -96.86 174.76 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.812 HG12 ' OE1' ' A' ' 43' ' ' GLU . 72.6 t -137.29 106.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.023 HD12 ' HB2' ' A' ' 54' ' ' LEU . 3.4 tm? -83.17 129.46 35.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.812 ' OE1' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.31 122.46 26.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -127.56 177.18 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 5.3 ptt180 177.72 146.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 4.2 pt20 -114.52 153.81 29.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.78 -119.45 16.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.578 1.173 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.78 34.32 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -173.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.15 140.34 15.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.451 ' CE3' ' HD3' ' A' ' 79' ' ' ARG . 59.9 m95 -56.29 130.01 42.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' C ' ' HG3' ' A' ' 43' ' ' GLU . 5.1 pt-20 -131.9 137.12 47.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG12 ' OE2' ' A' ' 43' ' ' GLU . 1.5 m -79.38 113.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.023 ' HB2' HD12 ' A' ' 42' ' ' LEU . 11.6 mt -76.33 -20.48 57.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' OD2' HG22 ' A' ' 58' ' ' VAL . 16.1 t0 -165.63 105.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.546 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.02 -43.62 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.69 108.35 19.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG22 ' OD2' ' A' ' 55' ' ' ASP . 40.3 t -126.73 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . . . -38.27 124.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -5.66 44.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.8 p -105.21 -9.57 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.383 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.43 156.38 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -133.61 5.03 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.1 mp0 -152.01 167.29 28.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.671 HD23 ' HG ' ' A' ' 42' ' ' LEU . 9.4 tp -162.7 152.76 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' VAL . 5.0 tp -110.27 143.8 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.96 HG11 HD13 ' A' ' 54' ' ' LEU . 57.8 t -137.29 85.32 21.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.93 13.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 70' ' ' LEU . . . -41.77 -35.88 1.59 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 67' ' ' VAL . 6.0 mp -39.0 159.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 72' ' ' LYS . 2.4 mm -103.67 -124.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.848 ' O ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -135.99 -91.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.539 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -66.2 64.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 73' ' ' ASP . 20.3 m -158.05 164.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -121.25 92.45 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 3.1 m-85 -83.95 130.93 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 8.3 mt-10 -93.36 -176.85 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CE2' HG11 ' A' ' 23' ' ' VAL . 75.5 m-85 -160.09 147.85 16.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG2' ' CB ' ' A' ' 43' ' ' GLU . 11.2 ptt180 -159.78 124.85 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.914 HD13 HD23 ' A' ' 42' ' ' LEU . 3.3 tp -101.01 142.02 33.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 89' ' ' SER . 62.1 t -131.73 103.92 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -75.13 126.31 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 5.6 p90 -132.28 135.54 46.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -123.93 157.4 34.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' ALA . . . 32.46 -96.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -126.66 22.65 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.958 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 8.4 m-85 -110.95 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.06 116.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.935 ' O ' HG13 ' A' ' 81' ' ' VAL . 12.9 p -79.79 163.6 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 48.5 m-20 -70.52 156.38 92.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.632 ' CA ' HG22 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' ASN . 34.0 p -40.62 163.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.7 p-10 -36.52 151.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -89.21 135.86 33.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' PHE . . . -128.9 150.98 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 29.3 p30 -151.14 167.75 26.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' CG1' ' HB1' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -127.69 158.67 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 t -113.33 132.22 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -130.16 81.32 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.95 -33.94 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.28 61.93 0.47 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.99 172.94 6.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -59.96 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 41.34 -145.95 0.53 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 57.87 4.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.84 102.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -56.84 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.941 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -85.01 152.2 23.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.37 37.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.49 178.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -104.02 51.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -52.09 136.4 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.6 26.27 2.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 83' ' ' PHE . 45.3 tp -111.92 117.49 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -85.45 150.62 54.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' HB3' ' O ' ' A' ' 90' ' ' ASP . 18.3 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 92' ' ' SER . 18.2 Cg_endo -75.04 174.33 12.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -152.54 -177.45 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 26' ' ' HIS . . . 44.51 41.16 6.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 27' ' ' TRP . 66.5 tp -88.23 122.2 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 3.3 m -142.53 168.11 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.84 ' HB1' HG23 ' A' ' 97' ' ' VAL . . . -133.45 113.02 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.812 HG11 ' CE1' ' A' ' 26' ' ' HIS . 2.2 p -103.31 111.4 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' CZ ' HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -67.53 124.74 24.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.82 177.02 2.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.469 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.03 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -73.83 -7.84 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.94 -136.85 7.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.97 HG21 HD23 ' A' ' 70' ' ' LEU . 8.5 t -127.91 127.6 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -104.59 121.06 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.748 ' CD1' HD21 ' A' ' 42' ' ' LEU . 6.5 mt -100.53 127.01 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.812 ' CE1' HG11 ' A' ' 17' ' ' VAL . 1.7 m170 -113.33 116.3 29.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.579 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.725 ' CD2' ' CD2' ' A' ' 80' ' ' LEU . 28.2 p90 -124.0 177.63 5.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -124.05 147.57 54.65 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 149.58 36.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.5 Cg_endo -74.94 140.78 26.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.762 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -47.61 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 32' ' ' LEU . 3.3 mt -84.41 115.01 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HD2' ' A' ' 34' ' ' PRO . 1.5 t -132.85 144.12 51.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.733 ' HD2' HG12 ' A' ' 33' ' ' VAL . 18.2 Cg_endo -75.02 -15.71 20.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.48 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.65 138.18 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.1 OUTLIER -70.58 131.4 43.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -86.92 -26.66 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 83' ' ' PHE . . . 138.42 156.35 7.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' HD22 ' A' ' 37' ' ' LEU . 23.9 m-85 -98.2 177.94 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 81' ' ' VAL . 1.1 p -133.75 111.36 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD21 ' CD1' ' A' ' 25' ' ' LEU . 18.0 tp -80.26 120.76 24.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HB2' ' CG ' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -124.81 111.27 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.7 177.5 18.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 30.0 ptt180 -178.57 153.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 76' ' ' TYR . 1.1 mt-30 -87.08 179.79 6.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -38.87 114.53 0.38 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' GLY . 3.8 t 37.64 53.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -108.92 -172.41 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.05 138.85 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' A' ' 45' ' ' ARG . 63.1 m95 -65.91 111.06 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 54' ' ' LEU . 13.4 pt-20 -101.19 130.3 47.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.26 100.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HG ' ' A' ' 42' ' ' LEU . 59.7 mt -68.42 -49.82 57.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.89 105.35 0.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -74.99 -19.83 17.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.407 1.74 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.05 98.22 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 44.6 t -125.76 130.32 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -37.33 124.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -7.99 46.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.2 p -107.88 -18.47 13.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.698 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 2.3 mm-40 -57.67 160.18 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.2 p -136.97 9.62 3.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.611 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -170.89 172.18 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD23 ' CD2' ' A' ' 42' ' ' LEU . 9.6 tp -166.28 155.02 10.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 13.6 tp -93.8 139.61 30.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -134.62 65.25 66.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 67' ' ' VAL . 18.3 Cg_endo -75.0 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -7.02 86.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.97 HD23 HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -62.63 159.88 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.654 ' HB ' HG21 ' A' ' 74' ' ' VAL . 2.1 mm -103.96 171.6 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -108.57 142.68 38.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 2.2 t70 82.68 18.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.654 HG21 ' HB ' ' A' ' 71' ' ' ILE . 18.4 m -138.42 179.5 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.031 HD11 ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -125.55 94.79 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 46' ' ' GLN . 1.4 m-85 -81.97 120.27 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' PHE . 5.0 mt-10 -88.76 179.89 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.628 ' HZ ' HD21 ' A' ' 70' ' ' LEU . 93.5 m-85 -161.77 157.35 24.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 43' ' ' GLU . 7.3 ptt180 -162.44 126.51 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.725 ' CD2' ' CD2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -100.86 141.74 33.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -129.53 105.98 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -74.51 111.07 9.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CE2' ' O ' ' A' ' 39' ' ' GLY . 11.6 p90 -124.57 138.77 54.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' PHE . . . -131.27 119.95 22.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 55.05 -98.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m -111.07 0.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.954 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' ALA . 39.1 m-85 -93.35 118.56 31.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.01 110.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 81' ' ' VAL . 23.4 p -76.96 166.85 22.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 10' ' ' PRO . 46.1 m-20 -73.04 154.11 90.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' SER . 18.1 Cg_endo -75.05 110.71 3.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' PRO . 25.9 p -43.65 173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -44.46 173.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.476 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 1.5 m -103.6 127.83 50.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.2 124.06 47.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 1.031 ' HB2' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -107.53 146.61 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.863 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -117.91 143.44 28.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -110.81 142.03 43.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -149.8 80.7 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 t -115.16 -33.24 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.06 -32.78 47.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 18' ' ' ARG . 5.9 mp -66.2 161.12 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.442 ' CB ' ' HD3' ' A' ' 72' ' ' LYS . 0.3 OUTLIER 38.8 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.62 165.72 11.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.08 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -159.67 158.21 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 t -159.48 145.04 15.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.157 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 stop_ save_