data_1uhu_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 1uhu _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 ' 7' ' ' THR . . . . . 0.471 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 15.3 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.95 -46.26 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -54.77 -41.56 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -41.4 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 7' ' ' THR . 10.8 mt -62.81 -38.55 91.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 9.4 p -72.52 -54.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.413 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 35' ' ' TRP . 57.2 mt -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.98 -38.52 91.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.484 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 39.6 m-70 -107.1 39.03 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.62 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.504 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.8 t-105 -47.68 -37.36 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -54.09 -41.99 68.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -68.86 -42.39 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.524 HG21 ' CH2' ' A' ' 35' ' ' TRP . 2.3 mm -62.02 -37.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 30.1 mtm105 -71.25 -31.8 67.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -45.85 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -60.5 -29.97 69.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.58 67.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.18 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.28 -28.02 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.89 -12.6 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t 72.9 44.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.59 160.17 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 141.16 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 82' ' ' TYR . 6.2 pt -144.31 162.67 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -113.06 166.09 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -92.69 -13.09 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.75 -50.17 5.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -74.95 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 10.8 t-105 -49.23 -38.9 28.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.3 m -54.82 -52.24 63.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 10.7 m-85 -58.36 -29.26 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.93 14.5 31.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.47 -60.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.3 OUTLIER -152.27 36.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.3 tp10 -115.73 -50.64 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.2 m0 -75.91 -43.79 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 1.75 7.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 41' ' ' SER . 71.7 p -118.92 16.09 13.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.4 m-30 -91.7 -18.89 23.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' PHE . 1.9 t70 78.27 84.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -159.94 -45.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.47 41.0 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 16.5 t-105 -104.45 125.5 33.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.01 163.18 35.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.65 16.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 6.3 mp0 -87.73 -25.7 23.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.2 172.67 21.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.453 ' CG2' HG12 ' A' ' 60' ' ' VAL . 14.3 t -163.14 142.44 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 37.8 m-85 -99.25 38.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -99.83 109.44 21.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 90' ' ' VAL . 0.9 OUTLIER -46.72 -37.19 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -58.9 -51.52 69.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 55' ' ' THR . 86.6 t -68.82 -33.3 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 57.4 mt -66.63 -53.59 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.51 -25.96 40.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.28 -52.23 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.591 HG13 ' CD1' ' A' ' 43' ' ' TRP . 11.7 t -67.72 -40.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 -35.37 78.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.71 55.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 HD13 ' CG1' ' A' ' 48' ' ' VAL . 3.3 mt -65.61 -41.74 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 69' ' ' PHE . 5.9 t -60.21 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 26.8 m-85 -90.31 41.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.532 ' CG ' ' OE1' ' A' ' 79' ' ' GLN . 98.7 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.1 21.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.6 m-20 -89.3 -37.29 15.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 29.2 mt-30 -88.11 -17.35 31.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.2 mt-30 -49.16 -48.52 73.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.96 -23.14 14.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -77.14 -49.84 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.468 ' CD1' HG11 ' A' ' 64' ' ' VAL . 10.9 tp -68.46 -29.77 45.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -59.61 -52.68 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.453 ' CG1' HG23 ' A' ' 19' ' ' ILE . 53.1 t -54.75 -45.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 21.4 m95 -53.23 -37.82 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.74 -41.63 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -37.22 86.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -56.47 -54.5 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.447 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 85.4 t -50.7 -65.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -39.96 -67.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -90.07 71.76 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -55.19 114.62 7.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.45 13.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 66.2 p-90 -80.3 -10.54 59.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 5.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.55 -48.8 68.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -64.56 -46.01 84.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 7' ' ' THR . 13.6 mt -55.68 -51.15 68.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -31.66 72.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CD2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.84 -42.73 60.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.54 -36.22 77.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.476 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 54.4 m-70 -107.66 36.68 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CH2' HG13 ' A' ' 30' ' ' ILE . 38.8 t-105 -48.02 -36.38 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -54.82 -45.32 74.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.05 -41.05 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.403 HG23 ' CH2' ' A' ' 35' ' ' TRP . 6.3 mm -66.43 -35.79 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 40.7 mtm180 -71.59 -26.6 62.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -47.75 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -55.87 -31.23 62.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' SER . . . -71.01 -37.99 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -42.19 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -36.35 82.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.52 -18.64 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 t 78.0 50.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.7 154.81 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 139.73 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.588 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 5.1 pt -143.3 157.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 6.2 mmpt? -110.09 165.64 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 5.0 tttt -92.77 -11.53 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.7 -50.83 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.3 t-105 -49.67 -38.96 34.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -49.4 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -55.46 -48.35 74.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.4 m-85 -56.61 -40.69 75.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 t -89.01 8.96 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.98 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.49 40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 2.9 tp10 -117.9 -49.37 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.2 m0 -75.54 -44.36 4.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.1 Cg_endo -75.05 1.46 7.74 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 41' ' ' SER . 1.9 p -112.19 20.22 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CZ ' ' NE2' ' A' ' 76' ' ' HIS . 8.8 m-30 -101.35 -17.78 16.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 0.2 OUTLIER 74.63 89.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 6.7 m -160.84 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.31 41.07 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 17.9 t-105 -104.44 126.51 31.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.01 163.43 35.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.57 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -75.77 -16.38 60.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.4 174.44 31.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' HG12 ' A' ' 60' ' ' VAL . 8.7 t -160.8 153.43 20.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.713 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.8 m-85 -110.27 41.31 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -104.36 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.4 -43.28 11.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 m -55.25 -50.1 70.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 55' ' ' THR . 55.2 t -68.12 -32.21 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 90' ' ' VAL . 75.0 mt -68.98 -52.51 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.74 -27.8 30.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.3 -53.01 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 43' ' ' TRP . 9.1 t -66.63 -39.04 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 9.4 tttt -58.1 -37.32 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.84 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.86 -42.53 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 69' ' ' PHE . 15.4 t -59.18 -51.21 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 24.3 m-85 -91.54 42.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.646 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 46.5 m-70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.81 16.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.619 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 26.3 t0 -82.68 -33.52 27.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.04 -17.34 31.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 11.7 mt-30 -49.44 -48.82 74.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.04 -24.0 13.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.5 m-85 -74.56 -50.11 19.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.408 ' CD1' HG12 ' A' ' 64' ' ' VAL . 8.4 tp -65.69 -34.9 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -54.41 -51.26 65.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -57.68 -43.97 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.655 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 33.1 m95 -53.53 -44.91 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.34 -47.66 83.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.38 -40.41 74.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.26 -54.47 43.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 58' ' ' LEU . 75.0 t -51.48 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -43.96 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -92.47 65.82 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 p -49.09 117.58 6.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.57 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 165.02 32.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.52 13.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 58.7 p-90 -80.51 -9.38 59.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.713 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 40.2 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 46.9 tp -53.12 -46.48 68.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -65.59 -45.9 81.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 7' ' ' THR . 8.9 mt -59.48 -45.1 92.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -63.36 -49.96 71.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' CD2' ' CD1' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -59.5 -46.74 87.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.79 -22.3 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.7 m-70 -122.97 41.77 3.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 40.7 t-105 -51.31 -36.32 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -54.27 -46.26 72.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.46 -41.17 96.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.452 HG22 ' CG1' ' A' ' 85' ' ' VAL . 5.5 mm -66.89 -36.57 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.53 -28.08 63.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.5 m -74.09 -48.72 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -54.03 -33.47 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.18 -33.68 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -41.09 85.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -28.14 62.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.44 -8.8 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m 65.6 51.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.57 151.39 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.72 143.64 44.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.611 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 20.4 pt -144.1 168.32 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -117.79 166.09 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE3' ' CD1' ' A' ' 16' ' ' TRP . 3.9 ttmt -93.49 -12.52 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.35 -50.12 5.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 29.4 t-105 -49.69 -39.36 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -77.51 -49.83 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -54.49 -50.66 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.9 m-85 -55.69 -33.83 64.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -100.03 12.78 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 108.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.62 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -159.01 38.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 4.1 tp10 -116.4 -49.99 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.8 m0 -76.16 -44.52 3.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 41' ' ' SER . 5.5 p -110.53 19.64 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.5 m-30 -102.65 6.16 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.62 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.7 m -151.68 -59.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.0 40.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 32.0 t-105 -105.58 125.55 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 165.09 31.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.04 2.76 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' CG2' ' A' ' 7' ' ' THR . 54.0 mm-40 -76.76 -21.98 54.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 105.17 174.71 24.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.5 t -157.49 140.71 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 23.1 m-85 -97.33 43.03 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.02 132.48 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.33 -25.35 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.0 m -74.39 -52.57 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.53 -36.23 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 25.7 mt -61.75 -45.25 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.4 m-85 -60.93 -33.33 72.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -58.38 -52.16 66.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.584 HG13 ' CD1' ' A' ' 43' ' ' TRP . 24.9 t -68.14 -34.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -64.19 -36.89 85.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.68 55.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mt -66.02 -41.0 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 69' ' ' PHE . 17.3 t -60.93 -47.13 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 18.9 m-85 -96.04 48.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.481 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 80.0 m-70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.1 19.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 3.4 m-20 -88.26 -35.95 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 49.1 mt-30 -88.29 -17.45 30.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt-30 -49.24 -48.31 74.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.0 -23.22 14.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -76.78 -49.05 16.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 tp -67.94 -37.47 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.6 m -53.28 -50.88 63.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 19' ' ' ILE . 76.7 t -54.48 -45.78 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.728 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.9 m95 -52.65 -44.1 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -59.85 -44.3 94.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.55 -38.44 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 HD21 ' CH2' ' A' ' 96' ' ' TRP . 12.2 mt -56.86 -52.24 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.536 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 98.3 t -64.72 -57.96 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' VAL . 3.1 mt-30 -37.87 -54.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' SER . 11.0 m-80 -112.47 63.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' ASN . 54.0 p -38.46 116.96 0.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.571 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.5 Cg_endo -74.92 166.4 29.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -24.45 12.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 97' ' ' ILE . 63.9 p-90 -80.19 -7.76 59.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 14.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -46.29 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -53.43 -47.49 69.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -65.41 -42.52 92.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 7' ' ' THR . 10.0 mt -60.33 -48.96 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 3.2 p -65.03 -54.58 28.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -54.35 -28.74 44.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -76.22 -27.03 56.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.7 m-70 -117.8 42.28 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.528 ' CH2' HG13 ' A' ' 30' ' ' ILE . 46.8 t-105 -49.86 -34.54 20.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -46.02 75.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.85 -42.99 97.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG23 ' CD1' ' A' ' 30' ' ' ILE . 24.6 mm -62.33 -43.58 98.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -68.33 -26.19 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -49.18 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -60.34 -37.17 79.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -68.22 -36.64 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -45.88 82.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -27.63 67.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 84' ' ' THR . 96.0 mt -88.16 -10.42 50.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 69.93 48.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 23' ' ' ALA . 12.7 m -139.38 151.33 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -113.27 131.86 55.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.576 HG21 ' CE1' ' A' ' 82' ' ' TYR . 20.1 pt -136.86 156.93 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 mtmt -115.15 166.84 11.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -89.15 -32.6 17.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -61.32 -50.85 62.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.98 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.494 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.9 t-105 -48.97 -42.09 36.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 24.4 ttt85 -73.08 -48.99 31.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -54.7 -52.55 62.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 11.5 m-85 -57.64 -28.84 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.26 12.05 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' ARG . . . -95.2 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -143.75 37.03 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.5 tp10 -115.15 -51.68 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 41.8 m0 -77.43 -43.31 2.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.04 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 41' ' ' SER . 38.8 p -116.81 21.67 13.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.451 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.9 m-30 -101.92 1.89 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 98.3 m-20 55.54 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 14.1 m -157.76 -52.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.67 42.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 15.5 t-105 -105.21 125.59 33.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 163.32 35.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.21 2.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.3 mp0 -74.82 -12.75 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.87 176.06 36.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -159.56 152.1 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 97' ' ' ILE . 31.3 m-85 -109.29 39.69 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -105.35 109.79 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -45.62 -39.77 8.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -57.08 -51.38 69.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.9 -30.35 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 73.8 mt -70.0 -53.55 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.81 -25.14 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.24 -52.51 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.574 HG12 ' CD1' ' A' ' 43' ' ' TRP . 13.0 t -68.48 -44.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 4.0 tttt -54.14 -36.95 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.36 -53.64 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.46 -43.83 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 69' ' ' PHE . 17.7 t -57.54 -52.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.501 ' CD1' HG12 ' A' ' 68' ' ' VAL . 11.5 m-85 -87.85 41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.427 ' CG ' ' NE2' ' A' ' 79' ' ' GLN . 57.8 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.07 16.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -84.09 -36.59 22.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.572 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -88.12 -17.66 30.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.7 mt-30 -49.3 -48.77 73.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.1 Cg_endo -75.04 -26.96 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.0 m-85 -69.9 -50.18 44.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.79 -33.79 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.452 ' CG2' HD12 ' A' ' 26' ' ' LEU . 1.1 m -56.55 -46.78 80.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.432 ' CG1' HG21 ' A' ' 19' ' ' ILE . 17.2 t -54.98 -46.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.494 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 72.1 m95 -52.02 -49.87 62.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -55.08 -52.21 63.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.75 -42.01 78.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 HD11 ' CG1' ' A' ' 85' ' ' VAL . 6.7 mt -54.85 -54.26 44.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 89.6 t -50.26 -55.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -47.73 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -91.42 71.67 6.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 p -57.46 109.81 2.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.597 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -75.04 165.97 30.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.2 14.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.617 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.5 p-90 -80.0 -9.65 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.617 HG13 ' CE3' ' A' ' 96' ' ' TRP . 18.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 12.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.65 -46.4 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -66.9 -42.56 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 7' ' ' THR . 9.9 mt -60.36 -38.31 83.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -74.19 -48.62 27.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 36' ' ' ARG . 61.8 mt -61.83 -45.26 94.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.95 -43.14 66.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.412 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 61.7 m-70 -102.67 38.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 38.8 t-105 -47.77 -37.95 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 m -53.46 -41.24 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 tt0 -71.14 -50.04 37.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.609 ' CG2' ' CH2' ' A' ' 35' ' ' TRP . 3.4 mm -55.9 -36.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtp85 -67.01 -33.9 76.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -69.69 -39.15 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -58.23 -32.92 68.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.72 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -44.58 87.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -27.1 63.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.26 14.5 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t 41.91 50.46 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.72 163.32 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -124.0 136.52 54.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.4 pt -140.7 173.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -129.55 166.95 18.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 8.6 tttt -91.55 -21.44 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -72.17 -50.5 16.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.05 -38.02 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.615 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.1 t-105 -49.1 -39.27 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 1.4 ttt85 -77.52 -49.4 14.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -54.68 -52.75 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.8 m-85 -56.69 -30.51 63.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 t -102.38 13.64 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.68 -58.35 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.8 OUTLIER -154.09 36.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.5 tp10 -116.27 -48.22 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 27.9 m0 -78.37 -43.82 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 107.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 41' ' ' SER . 68.6 p -120.15 16.66 12.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 1.7 m-30 -90.23 -3.41 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.84 82.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -159.76 -59.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.56 41.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 14.9 t-105 -105.46 123.67 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.03 165.04 32.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -25.37 12.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -85.69 -20.97 28.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 102.13 173.9 27.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -160.82 140.37 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 41.8 m-85 -94.43 30.53 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.78 109.2 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 90' ' ' VAL . 1.1 tp -46.47 -40.66 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -56.72 -52.9 63.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.18 -30.25 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.531 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 92.5 mt -69.74 -53.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.99 -26.39 36.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.72 -52.37 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.571 HG12 ' CD1' ' A' ' 43' ' ' TRP . 7.2 t -69.44 -40.25 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.18 -37.64 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.27 -53.24 60.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.59 -45.38 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.561 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 11.7 t -56.1 -51.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CD1' HG13 ' A' ' 68' ' ' VAL . 13.7 m-85 -89.78 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 4.1 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.69 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.616 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 32.0 m-20 -87.99 -39.99 14.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 11.9 mt-30 -87.99 -17.19 31.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.4 mt-30 -48.56 -48.69 67.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -74.99 -24.25 13.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 6.3 m-85 -75.33 -49.11 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 tp -71.0 -31.26 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -59.54 -51.77 68.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 19' ' ' ILE . 24.2 t -54.86 -43.99 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.615 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 8.1 m95 -51.57 -48.81 63.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -55.12 -31.83 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.96 -40.51 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.74 -42.21 71.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 98.7 t -68.54 -54.89 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -92.17 76.78 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 p -53.4 114.17 5.77 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.487 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -74.98 165.25 31.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.72 13.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.55 ' CE3' HG13 ' A' ' 97' ' ' ILE . 20.3 p-90 -80.63 -8.87 59.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 10.2 p . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . 18.2 Cg_endo -75.01 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.01 -47.32 71.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -69.87 -35.47 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 7' ' ' THR . 8.3 mt -64.54 -43.36 94.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 p -68.39 -52.32 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 9' ' ' LEU . 4.9 mt -55.61 -47.25 76.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.5 -22.26 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.544 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 56.5 m-70 -128.51 42.05 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.9 t-105 -49.14 -35.47 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -45.63 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.23 -45.95 78.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.475 ' CG2' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm -61.36 -37.52 77.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 12.9 mtm180 -71.48 -31.04 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -44.25 82.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -59.9 -32.83 71.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . -64.07 -41.89 97.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -40.57 92.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -34.32 70.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.78 -10.12 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 68.62 41.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 14.4 m -139.5 151.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -111.91 141.34 45.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.611 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 17.1 pt -142.86 169.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -123.48 166.46 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -90.12 -22.72 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -70.66 -50.54 24.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.3 Cg_endo -75.01 -37.85 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.643 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.7 t-105 -49.43 -38.84 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -78.02 -48.15 16.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -54.76 -52.88 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 8.9 m-85 -57.06 -26.65 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.9 t -107.65 14.3 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.78 -53.92 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.3 OUTLIER -157.52 34.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -116.28 -49.59 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.649 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -75.83 -44.81 4.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 1.68 7.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 41' ' ' SER . 35.0 p -115.95 21.48 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.04 -7.5 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.23 88.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -164.29 -43.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.57 40.58 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 18.9 t-105 -105.08 123.18 40.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -74.98 166.3 29.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -35.61 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 16.6 mp0 -75.71 -11.43 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.96 177.53 42.22 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.469 ' CG2' HG11 ' A' ' 60' ' ' VAL . 15.1 t -160.46 149.73 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 19.9 m-85 -102.75 30.42 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -97.46 109.28 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.94 -38.79 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 m -56.64 -44.36 81.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 55' ' ' THR . 36.4 t -75.01 -33.33 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 90' ' ' VAL . 60.2 mt -67.47 -53.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -53.75 -27.86 31.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.71 -52.9 47.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.8 t -67.27 -37.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -63.35 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.59 56.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.583 ' CG2' ' CE1' ' A' ' 46' ' ' PHE . 3.1 mt -66.24 -41.85 89.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 76' ' ' HIS . 24.4 t -59.77 -53.54 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 44.2 m-85 -86.74 43.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 67' ' ' ILE . 4.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' VAL . 95.9 m-70 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.56 20.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 7.1 m-20 -89.89 -41.84 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 4.2 mp0 -88.45 -17.71 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 6.5 mt-30 -49.41 -48.4 75.1 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.05 -22.63 14.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -78.32 -49.75 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -65.5 -33.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.2 m -58.97 -49.66 77.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 19' ' ' ILE . 81.6 t -54.49 -46.85 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.643 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 17.5 m95 -53.18 -48.62 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -54.69 -34.13 61.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.15 -37.47 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.465 HD13 ' CH2' ' A' ' 96' ' ' TRP . 0.6 OUTLIER -57.35 -39.02 75.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 48.6 t -72.22 -47.48 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.29 -66.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -93.57 81.98 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 115.71 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.05 164.94 32.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.66 13.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.565 ' CE3' HG13 ' A' ' 97' ' ' ILE . 15.6 p-90 -80.42 -9.49 59.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.695 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.495 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.02 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.1 tp -56.61 -38.98 72.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -69.54 -51.31 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 7' ' ' THR . 6.5 mt -55.88 -53.08 61.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 51.0 p -52.6 -54.05 38.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD23 ' CG ' ' A' ' 32' ' ' LYS . 82.5 mt -57.14 -43.12 82.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.24 -23.15 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.439 ' CD2' ' CD2' ' A' ' 96' ' ' TRP . 22.2 m-70 -121.91 38.2 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -48.79 -37.59 19.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -44.01 69.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.1 -43.6 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.458 HG23 ' CG1' ' A' ' 85' ' ' VAL . 4.9 mm -63.31 -34.35 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 34.4 mtm180 -71.24 -28.67 64.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -48.41 62.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -55.55 -34.02 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.23 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.77 -46.66 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.59 -30.76 71.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.69 -0.58 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t 56.65 49.49 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.17 151.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.35 128.79 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.581 HG23 ' CE1' ' A' ' 82' ' ' TYR . 8.4 pt -132.67 165.12 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -122.95 167.19 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' HD23 ' A' ' 13' ' ' LEU . 5.0 ttmt -88.25 -37.3 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -56.95 -50.28 65.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 18.1 t-105 -49.55 -39.48 34.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 108.009 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -77.62 -50.22 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -54.79 -52.05 63.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.3 m-85 -55.04 -36.07 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 t -95.37 11.59 32.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.52 -60.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.2 OUTLIER -153.83 38.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 tp10 -119.14 -45.17 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 16.9 m0 -78.31 -43.85 2.12 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 3.59 5.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.5 p -109.66 21.16 17.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 13.0 m-85 -94.08 -15.15 25.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.83 64.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.57 -61.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.82 41.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.572 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 12.0 t-105 -104.87 126.45 31.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 164.41 33.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.7 -24.42 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.76 172.6 22.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -158.48 146.14 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 29.3 m-85 -101.58 36.16 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -102.16 103.38 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 87' ' ' GLN . 9.1 tp -45.34 -30.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.9 m -60.87 -49.58 76.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.85 -32.65 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.8 -53.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -26.07 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -68.88 -52.4 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 43' ' ' TRP . 19.2 t -70.87 -34.35 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.602 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 4.5 ttmt -65.9 -41.86 90.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.51 -51.19 60.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.426 HG23 ' NE2' ' A' ' 70' ' ' GLN . 3.4 mt -69.7 -48.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 76' ' ' HIS . 39.7 t -52.54 -44.55 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.602 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 35.5 m-85 -93.78 36.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.426 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.537 ' CG ' ' OE1' ' A' ' 79' ' ' GLN . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.25 21.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.609 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -88.52 -39.05 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 9.9 mt-30 -88.14 -17.22 31.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.6 mt-30 -48.46 -48.75 66.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.98 -23.62 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -76.91 -49.75 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' A' ' 43' ' ' TRP . 11.1 tp -67.53 -34.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -58.44 -45.48 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG1' HG23 ' A' ' 19' ' ' ILE . 49.3 t -54.86 -47.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.646 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 22.2 m95 -52.08 -47.69 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.472 ' CG ' HD12 ' A' ' 58' ' ' LEU . 3.2 tm0? -56.99 -36.75 70.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -34.1 62.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.94 -54.73 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 56' ' ' PHE . 30.9 m -56.09 -41.75 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.11 -58.26 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.58 50.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -41.13 108.69 0.58 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.595 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -75.01 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.24 14.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.598 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.8 p-90 -80.35 -5.41 56.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.598 HG13 ' CE3' ' A' ' 96' ' ' TRP . 15.3 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.495 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 2.6 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 -45.53 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.49 ' CD2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -52.87 -47.96 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -67.72 -40.06 84.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.0 mt -62.12 -38.47 89.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 14.7 p -74.0 -53.59 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.495 HD23 ' CD1' ' A' ' 35' ' ' TRP . 3.4 mm? -56.38 -34.13 66.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.29 -29.13 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.457 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.7 m-70 -117.15 46.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 40.4 t-105 -55.23 -37.75 67.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 m -53.32 -39.65 64.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.78 -42.06 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 19.3 mm -65.43 -32.45 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -71.74 -25.75 62.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -47.79 14.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -47.98 -38.14 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' CA ' HG21 ' A' ' 28' ' ' VAL . . . -76.41 -48.35 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -46.55 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 84' ' ' THR . 61.2 mt -84.48 -5.78 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m 68.95 50.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG21 ' CA ' ' A' ' 23' ' ' ALA . 2.5 m -146.06 154.5 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.13 142.34 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.6 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 18.1 pt -143.07 162.74 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtpt -114.13 166.08 11.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 10.9 ttpp -93.3 -13.02 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.83 -50.08 5.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.1 t-105 -49.3 -40.29 34.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' CD ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.69 -49.71 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -54.41 -51.7 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.0 m-85 -55.76 -31.83 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.21 12.76 36.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 36' ' ' ARG . . . -95.01 -56.0 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.43 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -158.99 39.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.7 tp10 -116.7 -50.51 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.651 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 32.8 m0 -75.65 -44.27 4.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 107.964 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.6 7.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 41' ' ' SER . 7.0 p -112.94 16.21 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.1 m-30 -96.66 -19.82 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.504 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 21.3 t0 74.72 89.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 4.4 m -161.44 -44.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.42 40.6 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -105.51 122.7 41.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.3 31.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 7' ' ' THR . 51.7 mm-40 -74.41 -16.95 60.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.17 178.37 33.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -161.2 145.98 13.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE1' ' CD1' ' A' ' 97' ' ' ILE . 24.7 m-85 -101.76 42.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -100.35 130.09 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.595 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -72.7 -25.75 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -72.77 -51.36 19.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.03 -39.45 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 90' ' ' VAL . 27.1 mt -58.17 -47.45 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.52 -34.51 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -61.8 -52.31 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 43' ' ' TRP . 10.2 t -65.43 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.564 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 6.1 tttt -64.57 -50.75 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.94 -25.45 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 48' ' ' VAL . 69.4 mt -77.49 -52.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.462 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.4 m -66.21 -32.81 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 38.4 m-85 -94.91 36.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 9.2 m-70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.81 20.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -87.48 -37.73 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.01 -16.77 32.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 15.8 mt-30 -48.91 -49.0 70.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.5 Cg_endo -74.97 -22.3 15.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.0 m-85 -77.78 -50.26 12.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 64' ' ' VAL . 10.6 tp -65.31 -36.14 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 26' ' ' LEU . 3.9 m -56.22 -50.68 70.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 19' ' ' ILE . 20.4 t -54.6 -43.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.531 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 37.9 m95 -54.84 -44.24 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.73 -42.14 91.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -63.27 -42.55 99.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' ILE . 3.5 mt -54.72 -54.39 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.469 ' HB ' ' CD2' ' A' ' 58' ' ' LEU . 99.3 t -58.25 -58.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.0 mt-30 -37.99 -46.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' SER . 23.0 m-80 -119.97 51.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.6 p -36.56 117.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.608 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -74.95 172.89 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.59 13.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.616 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.4 p-90 -80.09 -1.87 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.616 HG13 ' CE3' ' A' ' 96' ' ' TRP . 19.3 mt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 1.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -52.93 -48.32 67.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 -35.86 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 7' ' ' THR . 12.9 mt -68.35 -36.56 79.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -76.57 -54.29 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 3.5 mm? -54.03 -36.75 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -62.84 -41.4 99.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.522 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 42.7 m-70 -104.41 42.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 39.2 t-105 -50.67 -36.92 38.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -46.6 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.45 88.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.483 HG21 ' CH2' ' A' ' 35' ' ' TRP . 4.5 mm -61.18 -36.99 76.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 24.1 mtp85 -71.32 -31.08 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -46.05 77.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -59.63 -30.77 68.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.11 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.58 -44.26 91.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.66 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 m 67.19 45.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.43 153.53 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.59 134.83 54.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.576 HG21 ' CE1' ' A' ' 82' ' ' TYR . 16.9 pt -140.1 154.9 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -109.08 166.9 10.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 2.4 ttmt -91.33 -15.04 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -79.28 -50.15 5.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.04 -37.07 2.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.641 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 19.0 t-105 -49.56 -44.28 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.64 -47.11 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.2 m -54.82 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 79' ' ' GLN . 9.0 m-85 -57.05 -22.47 39.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 t -113.01 14.19 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -98.97 -49.32 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -161.83 38.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.651 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.4 tp10 -118.09 -51.08 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.693 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 38.2 m0 -78.26 -42.56 2.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 3.08 5.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 41' ' ' SER . 11.0 p -120.64 21.78 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.2 m-30 -93.18 -9.96 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.8 73.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.8 m -151.32 -59.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.25 41.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -105.1 123.53 39.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.16 31.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.42 2.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.457 ' CG ' HG21 ' A' ' 7' ' ' THR . 14.3 mm-40 -73.94 -13.14 60.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.63 177.68 38.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -160.77 147.44 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 31.0 m-85 -103.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.48 124.05 46.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.621 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -67.2 -25.73 66.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.8 m -74.52 -51.09 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.67 -41.35 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.8 mt -56.66 -48.44 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.1 m-85 -57.53 -32.96 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.51 -52.25 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 43' ' ' TRP . 14.4 t -64.63 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 2.6 ttmt -64.84 -50.25 67.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.25 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.41 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 62.0 mt -75.7 -52.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.464 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.5 m -65.87 -35.55 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 31.6 m-85 -89.63 24.88 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 67' ' ' ILE . 12.0 pt20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 5.9 m-70 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.1 17.63 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.617 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p30 -89.25 -36.23 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.486 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -88.23 -16.52 33.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.9 mt-30 -48.27 -48.64 64.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -21.68 15.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 7.2 m-85 -79.87 -49.77 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 84' ' ' THR . 9.9 tp -66.53 -40.46 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' ILE . 3.5 m -51.9 -52.14 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.1 t -55.67 -44.35 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.641 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.8 m95 -54.54 -39.68 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -68.98 -39.58 79.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -64.98 -38.06 89.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.97 -54.46 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 58' ' ' LEU . 59.1 t -60.54 -57.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' VAL . 14.8 mt-30 -36.96 -54.79 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 19.2 m-80 -112.34 59.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ASN . 94.5 p -35.48 116.87 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.01 166.84 28.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -23.91 13.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 97' ' ' ILE . 67.0 p-90 -80.66 -6.34 58.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 13' ' ' LEU . 2.3 mt -52.53 -47.7 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -64.78 -40.12 94.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.0 mt -65.7 -52.39 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -59.47 -53.11 61.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 9' ' ' LEU . 7.7 mt -57.59 -41.54 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.86 -28.37 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.532 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.4 m-70 -117.95 38.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 41.1 t-105 -47.92 -36.84 13.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -53.92 -41.44 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.93 -42.55 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 19' ' ' ILE . 3.5 mm -64.91 -37.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 10.6 mtm180 -71.04 -29.11 64.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -43.19 61.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -61.77 -28.98 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -39.34 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.17 96.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -30.75 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.3 mt -87.05 -1.97 58.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m 62.23 50.58 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -144.88 148.38 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 138.04 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.576 HG22 ' CD1' ' A' ' 82' ' ' TYR . 8.2 pt -143.06 171.97 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -128.69 167.23 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' CE ' ' HB2' ' A' ' 16' ' ' TRP . 6.2 tttt -87.14 -38.92 15.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -55.89 -50.93 58.59 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.02 -42.64 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.65 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.4 t-105 -48.31 -36.98 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -76.69 -46.27 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -54.62 -52.69 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 14.2 m-85 -57.58 -23.88 53.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.03 14.24 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.24 -50.36 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.441 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.2 OUTLIER -161.55 40.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.6 tp10 -121.75 -49.03 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.7 m0 -77.08 -45.17 2.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.01 1.59 7.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 41' ' ' SER . 2.3 p -116.03 21.02 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.8 m-30 -100.68 -5.8 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 9.7 t0 63.52 84.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 23.9 m -158.5 -46.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.54 42.4 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 18.2 t-105 -104.8 129.51 24.77 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.544 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.0 164.81 32.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.1 pt-20 -78.78 -12.8 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 95.76 174.49 36.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 8.1 t -157.2 138.51 13.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE1' HD12 ' A' ' 97' ' ' ILE . 41.2 m-85 -90.89 41.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -106.08 102.63 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 11.3 tp -45.55 -38.96 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -54.16 -53.45 53.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.15 -35.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 58' ' ' LEU . 41.5 mt -62.77 -51.82 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.411 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -53.15 -30.87 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.47 -52.85 50.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 43' ' ' TRP . 4.0 t -71.26 -35.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 22.7 ttmt -58.86 -58.33 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' GLN . . . -52.06 -36.51 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.441 ' CD1' HG13 ' A' ' 48' ' ' VAL . 25.0 mt -60.71 -53.13 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.516 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 m -70.22 -34.71 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 22.5 m-85 -88.56 11.91 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ALA . 5.1 pt20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -5.81 17.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.665 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 81.3 m-20 -83.48 -39.42 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 55.7 mt-30 -88.18 -16.51 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 10.7 mt-30 -48.48 -48.48 67.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -21.14 16.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.665 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 6.1 m-85 -80.19 -49.42 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -67.82 -34.87 70.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.1 m -53.35 -44.33 68.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 19' ' ' ILE . 43.3 t -62.69 -41.12 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.65 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 24.3 m95 -55.49 -52.85 62.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.2 -33.17 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.61 -32.72 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.12 -54.54 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.0 m -59.05 -45.77 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -54.59 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.7 m-80 -95.28 51.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' ASN . 66.2 p -38.96 110.72 0.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 172.54 16.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.24 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 68.2 p-90 -79.52 -1.44 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.607 HG13 ' CE3' ' A' ' 96' ' ' TRP . 45.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 3.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.97 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.8 tp -59.84 -44.33 94.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 t -63.17 -47.42 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 7' ' ' THR . 8.1 mt -59.97 -50.37 74.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p -54.74 -51.9 64.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.27 -42.58 98.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.57 -18.58 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.437 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 22.5 m-70 -125.39 34.2 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 38.5 t-105 -47.86 -37.76 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -53.72 -45.37 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.75 -47.26 72.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 ' CG2' HG13 ' A' ' 85' ' ' VAL . 5.2 mm -59.92 -35.54 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 33.4 mtm180 -71.39 -32.2 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -67.52 -47.72 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -55.61 -40.11 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -45.81 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.53 -26.59 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.7 -13.22 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 m 71.29 46.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -139.14 152.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.33 137.79 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.8 pt -141.86 158.22 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.62 167.13 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.8 ttpp -89.02 -36.85 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -57.02 -50.07 66.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.7 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 25.6 t-105 -49.57 -39.42 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -77.08 -49.2 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -55.18 -46.65 75.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 m-85 -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 39' ' ' CYS . 53.6 t -94.07 10.67 32.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.41 -63.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.33 37.09 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -116.03 -51.31 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 28.8 m0 -75.36 -44.31 4.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.99 1.6 7.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 41' ' ' SER . 12.5 p -112.81 14.1 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.9 m-30 -93.39 6.57 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 51.66 45.68 27.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.485 HG13 ' CB ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -115.58 -21.94 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 4.48 20.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 21.1 t-105 -67.81 128.76 93.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 166.08 29.94 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -73.38 -32.22 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 118.72 170.77 14.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 14.7 t -161.78 148.06 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 97' ' ' ILE . 45.1 m-85 -104.02 36.1 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -92.79 109.98 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.446 HD13 ' CG1' ' A' ' 90' ' ' VAL . 1.2 tp -49.02 -40.11 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.7 m -56.49 -50.3 72.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.93 -39.07 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -61.57 -53.36 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.431 ' CE1' HD22 ' A' ' 58' ' ' LEU . 2.4 m-85 -53.75 -41.23 66.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 14.8 mm-40 -58.52 -52.75 64.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 43' ' ' TRP . 37.3 t -69.61 -35.28 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' HG21 ' A' ' 68' ' ' VAL . 4.0 tttt -61.96 -46.55 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.31 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.556 HG22 ' CE2' ' A' ' 46' ' ' PHE . 85.6 mt -76.46 -39.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.546 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 2.1 m -81.42 -26.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.45 ' CD1' HG22 ' A' ' 68' ' ' VAL . 22.7 m-85 -100.95 33.05 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 12.6 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 22.1 m-70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.611 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -89.58 -42.33 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 41.2 mt-30 -88.29 -16.76 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.6 mt-30 -48.68 -49.36 66.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.95 -22.11 15.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.5 m-85 -78.33 -49.8 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 68' ' ' VAL . 5.7 tp -65.63 -38.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -47.23 -49.87 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 19' ' ' ILE . 84.7 t -62.84 -42.41 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.7 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 33.3 m95 -53.9 -45.96 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -48.23 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.66 -38.8 82.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -55.02 -52.49 63.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.446 ' CG1' HD13 ' A' ' 58' ' ' LEU . 89.9 t -53.86 -56.23 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -46.12 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -91.39 64.11 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.7 p -49.19 114.09 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.602 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 166.39 29.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -23.8 13.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.614 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.3 p-90 -80.01 -8.15 59.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.039 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.614 HG13 ' CE3' ' A' ' 96' ' ' TRP . 23.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.456 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 2.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.02 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.11 -48.5 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -63.33 -44.7 94.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 7' ' ' THR . 12.1 mt -56.58 -47.6 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 2.3 p -63.64 -53.14 56.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 35' ' ' TRP . 3.7 mm? -58.78 -36.57 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.493 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 64.7 m-70 -117.39 39.89 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 40.3 t-105 -47.32 -36.92 10.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.7 m -53.81 -40.13 66.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -71.16 -44.8 64.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.556 HG23 ' CH2' ' A' ' 35' ' ' TRP . 4.7 mm -61.26 -36.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.7 mtm105 -70.31 -30.88 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -39.54 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . -68.49 -41.97 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -47.17 82.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -34.83 71.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.0 mt -82.38 -0.4 45.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.8 t 54.72 47.1 23.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 13.1 m -140.58 157.79 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.84 138.83 53.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.588 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.9 pt -141.26 171.98 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -124.17 166.8 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 6.9 ttpp -92.09 -12.76 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.503 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.95 -50.56 4.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 -38.33 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.654 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.6 t-105 -49.04 -47.21 44.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -49.17 56.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -53.98 -52.82 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 12.7 m-85 -55.91 -30.05 61.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.83 14.25 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.324 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.18 -59.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.4 OUTLIER -151.92 35.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.6 tp10 -115.79 -50.08 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -76.57 -43.86 3.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.05 1.75 7.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 41' ' ' SER . 32.7 p -115.79 21.22 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.1 m-30 -100.59 -2.57 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.93 81.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.86 -45.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.16 39.48 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 12.8 t-105 -105.39 123.57 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 167.31 27.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.18 13.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 73.6 mm-40 -83.93 -19.85 33.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.12 -178.89 32.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -166.27 146.04 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 52.3 m-85 -100.37 30.65 3.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -91.79 106.21 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.71 -37.85 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 m -58.1 -51.12 71.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.65 -35.11 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 82.3 mt -65.36 -53.36 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.86 -24.98 17.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.04 -52.82 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG11 ' CG ' ' A' ' 43' ' ' TRP . 20.7 t -69.33 -38.63 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' HG21 ' A' ' 68' ' ' VAL . 4.9 tttt -63.9 -49.97 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.04 33.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.29 -47.72 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.59 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.1 m -70.49 -34.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -94.81 38.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 2.2 m-70 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.79 17.22 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.636 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 m-20 -88.87 -38.99 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 10.8 mt-30 -87.99 -16.7 33.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.0 mt-30 -49.31 -49.0 73.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -75.04 -24.65 12.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.3 m-85 -73.02 -49.55 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.524 HD13 ' CH2' ' A' ' 43' ' ' TRP . 7.2 tp -68.81 -35.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.446 ' N ' HG23 ' A' ' 83' ' ' ILE . 8.1 m -50.17 -45.78 53.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.15 -43.38 98.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.654 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 30.4 m95 -55.22 -52.34 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.22 -34.9 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -71.93 -37.63 69.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -45.0 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 68.0 t -62.92 -53.48 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -54.04 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -90.65 66.79 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 p -50.47 115.9 6.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.01 165.48 31.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -23.71 13.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 97' ' ' ILE . 26.3 p-90 -80.48 -8.07 59.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 35.6 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.98 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -56.33 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 -27.31 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.3 mt -74.0 -37.51 64.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 31.3 p -73.23 -54.56 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 4.1 mm? -54.74 -37.34 65.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.18 -26.35 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.52 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.3 m-70 -121.51 43.13 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.7 t-105 -53.34 -37.98 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -53.53 -44.77 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 14.6 tp10 -66.65 -41.23 88.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG21 ' CG1' ' A' ' 85' ' ' VAL . 18.8 mm -66.39 -34.16 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -71.26 -27.02 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -47.07 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 8.9 mmt180 -52.12 -39.86 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' CA ' HG23 ' A' ' 28' ' ' VAL . . . -70.76 -34.25 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -45.64 81.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.71 -32.29 73.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 84' ' ' THR . 76.3 mt -83.18 -19.02 37.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.6 t 79.8 50.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG23 ' CA ' ' A' ' 23' ' ' ALA . 2.3 m -140.37 156.16 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.15 140.07 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 16.6 pt -143.7 168.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.7 mtmt -117.02 166.62 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 tttt -93.64 -12.67 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.69 -49.76 5.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -39.47 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 22.3 t-105 -48.82 -39.47 25.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ALA . 1.1 ttt180 -77.82 -49.35 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m -54.77 -51.67 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.2 m-85 -54.65 -31.95 58.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.07 14.09 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.21 -47.44 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.52 37.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.8 tp10 -117.74 -48.34 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 25.4 m0 -75.23 -44.62 4.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 3.52 5.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.8 p -117.75 21.14 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 6.6 m-30 -100.62 -4.8 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 4.3 m-20 59.88 83.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 19.3 m -157.63 -45.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.65 41.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 42.3 t-105 -105.16 124.34 36.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.5 26.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.99 2.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -76.34 -24.51 54.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 106.98 174.74 22.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -156.01 149.22 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 25.2 m-85 -107.93 39.37 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -97.49 107.08 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -45.63 -43.63 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -55.98 -53.41 57.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.51 -42.54 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.432 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 50.7 mt -55.34 -38.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.86 -25.81 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -71.16 -51.29 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 43' ' ' TRP . 20.8 t -74.42 -36.97 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' PHE . 4.7 tttt -61.5 -47.14 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.08 -24.37 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.96 -38.9 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.61 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.0 OUTLIER -79.31 -29.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' LYS . 15.5 m-85 -99.6 26.7 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' PHE . 61.1 mt-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.61 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 9.9 m-70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.16 16.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -90.73 -39.99 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -88.05 -16.82 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.1 mt-30 -49.0 -49.11 70.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.67 15.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.2 m-85 -78.92 -49.07 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' HG22 ' A' ' 68' ' ' VAL . 6.7 tp -66.09 -37.32 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.453 HG21 ' CD1' ' A' ' 26' ' ' LEU . 4.7 m -50.0 -44.82 51.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 19' ' ' ILE . 53.1 t -64.26 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 47.9 m95 -57.85 -46.97 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -59.42 -36.47 75.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.34 -32.74 62.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.473 HD21 ' CH2' ' A' ' 96' ' ' TRP . 15.1 mt -61.16 -54.1 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.432 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 13.5 m -64.98 -49.51 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 12.5 mm-40 -49.48 -49.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 33.7 m-80 -113.46 60.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 57.9 p -37.44 115.17 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.535 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 166.36 29.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.73 12.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 54.3 p-90 -80.27 -8.41 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.42 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 2.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.3 -47.89 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -48.94 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 7' ' ' THR . 12.8 mt -55.56 -45.13 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 15.9 p -62.7 -54.55 37.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 35' ' ' TRP . 2.8 mm? -56.88 -47.48 80.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.5 -23.5 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.472 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.5 m-70 -123.32 43.18 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.46 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 41.0 t-105 -54.22 -37.16 64.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -53.95 -41.78 68.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.4 tp10 -69.6 -39.45 77.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.529 HG21 ' CH2' ' A' ' 35' ' ' TRP . 15.6 mm -67.3 -35.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -71.6 -25.68 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -43.95 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.9 mmt180 -59.32 -31.57 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.06 -35.84 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.42 -46.34 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -71.4 -29.52 65.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.61 -0.97 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t 56.72 55.25 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 m -145.62 148.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -110.51 135.73 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 13.4 pt -141.71 163.16 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.61 165.74 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.8 tttm -93.77 -12.43 29.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.52 -49.99 5.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.567 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 13.0 t-105 -49.26 -39.87 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -49.04 26.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -55.75 -51.5 67.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 13.3 m-85 -56.5 -32.77 65.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.65 11.93 36.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.98 -66.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.3 OUTLIER -146.87 39.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 5.1 tp10 -115.82 -50.35 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 33.6 m0 -77.29 -43.97 2.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 41' ' ' SER . 16.6 p -113.23 21.33 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 7.4 m-30 -101.94 -11.37 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.96 78.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.97 -68.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.31 33.54 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -106.25 116.17 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -0.72 10.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -116.65 -9.42 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.29 167.28 41.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.472 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -152.44 148.98 28.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.417 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 26.4 m-85 -101.43 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -108.92 110.84 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.84 -28.91 58.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.9 m -63.48 -54.46 36.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 55' ' ' THR . 0.5 OUTLIER -68.66 -43.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 59.1 mt -53.94 -38.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -25.98 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.81 -52.17 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 43' ' ' TRP . 3.5 t -64.35 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.472 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 2.5 ttmt -61.07 -53.09 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.08 -37.12 43.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.1 -53.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 69' ' ' PHE . 1.2 m -67.79 -26.55 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -99.89 28.82 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 9.5 m-70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -86.14 -40.13 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -87.6 -16.75 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.4 mt-30 -49.09 -49.55 68.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -22.72 14.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.1 m-85 -75.85 -50.23 15.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 65' ' ' LYS . 9.1 tp -66.95 -32.14 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 83' ' ' ILE . 2.1 m -53.29 -45.03 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' CG1' HG23 ' A' ' 19' ' ' ILE . 25.9 t -64.16 -43.32 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.567 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 44.3 m95 -53.19 -51.2 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -55.07 -37.02 66.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -73.27 -35.6 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 HD23 ' CH2' ' A' ' 96' ' ' TRP . 10.1 mt -58.51 -54.58 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 23.6 m -63.86 -47.92 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 14.6 mm-40 -47.98 -55.41 10.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' SER . 35.7 m-80 -107.68 59.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' ASN . 59.6 p -35.99 113.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.554 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.08 167.0 27.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.04 13.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 62.2 p-90 -81.01 -7.01 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 2.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HG2' ' C ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.96 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -52.35 -48.5 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -41.99 90.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.2 mt -57.87 -48.14 80.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 39.0 p -63.3 -54.56 35.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 35' ' ' TRP . 3.9 mm? -54.38 -47.93 72.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -53.58 -25.49 17.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 29.2 m-70 -122.81 48.73 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CH2' ' O ' ' A' ' 31' ' ' LYS . 44.4 t-105 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -53.74 -48.79 69.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.0 tp10 -60.74 -43.94 97.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.571 HG23 ' CZ2' ' A' ' 35' ' ' TRP . 7.9 mm -64.43 -39.57 86.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 14.4 mtm180 -71.22 -28.25 64.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -49.36 46.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.7 mmt180 -55.7 -30.69 61.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' SER . . . -63.85 -40.34 96.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -41.06 87.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.17 -29.31 66.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 84' ' ' THR . 89.0 mt -93.31 -8.06 43.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.3 m 64.33 53.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.03 152.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.36 135.75 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.59 HG23 ' CE1' ' A' ' 82' ' ' TYR . 12.5 pt -142.05 163.08 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -113.22 166.9 11.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.1 ttpm? -91.9 -13.78 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.97 -50.88 4.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.698 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 16.2 t-105 -48.15 -37.25 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.1 -47.01 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -54.68 -51.89 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 m-85 -57.49 -30.98 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.82 14.51 31.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.74 -64.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.432 ' O ' ' CG2' ' A' ' 45' ' ' THR . 13.7 t -147.34 38.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.7 tp10 -116.67 -49.24 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.659 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 31.6 m0 -77.3 -44.26 2.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.0 1.5 7.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.6 p -110.88 17.25 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.6 m-30 -98.55 -15.42 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 0.2 OUTLIER 70.1 95.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -169.08 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.94 33.15 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -105.1 112.62 65.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.11 9.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -116.19 -12.38 11.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.52 176.08 44.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.466 ' CG2' HG13 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -161.61 145.05 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 38.7 m-85 -95.61 44.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -104.91 101.7 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.6 tp -48.64 -27.24 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -62.56 -53.85 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -70.21 -41.24 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 72.1 mt -54.17 -48.63 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -54.74 -33.88 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 2.1 mm-40 -68.96 -52.18 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.498 HG11 ' CG ' ' A' ' 43' ' ' TRP . 3.6 t -65.27 -39.2 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 5.0 tttt -66.88 -51.21 58.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.01 -24.37 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.72 -53.54 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 83' ' ' ILE . 1.2 m -65.57 -35.07 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 15.2 m-85 -94.05 31.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 4.1 m-70 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.16 17.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 19.1 m-20 -85.03 -37.77 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 46.7 mt-30 -88.01 -16.03 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 19.4 mt-30 -47.93 -48.78 61.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.01 16.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.0 m-85 -79.98 -49.7 11.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.444 ' CG2' HG21 ' A' ' 68' ' ' VAL . 6.5 tp -69.24 -34.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 26' ' ' LEU . 1.3 m -53.56 -44.5 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 19' ' ' ILE . 46.2 t -63.02 -37.32 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.698 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 25.8 m95 -61.2 -48.72 80.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -33.99 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -29.03 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.93 -54.57 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.518 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 34.9 m -57.2 -45.27 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' HG23 ' A' ' 90' ' ' VAL . 11.7 mm-40 -55.77 -67.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -91.96 62.7 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -40.76 114.24 1.09 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.557 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -74.99 164.8 32.65 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.24 13.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 57.5 p-90 -80.79 -10.18 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 13' ' ' LEU . 20.7 tp -56.26 -45.95 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -67.89 -38.83 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.66 -47.95 70.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 p -58.24 -48.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD1' HD11 ' A' ' 9' ' ' LEU . 16.6 mt -66.69 -33.95 76.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.37 -34.87 79.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -113.53 41.34 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -51.53 -37.95 51.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -53.37 -40.05 64.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 26.8 tt0 -73.88 -41.55 62.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.476 ' CD1' HD23 ' A' ' 89' ' ' LEU . 19.8 mm -64.21 -33.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -71.45 -27.57 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -49.79 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 10.7 mtt-85 -52.26 -40.51 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -46.63 79.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -35.25 80.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.59 -17.87 52.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t 76.86 46.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.88 153.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.47 135.08 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.598 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 19.3 pt -139.38 164.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -120.08 166.77 12.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 2.7 tttm -91.43 -24.6 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -68.66 -49.8 40.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 -40.23 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.6 t-105 -49.18 -37.34 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -74.85 -49.05 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -56.13 -51.55 67.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 16.9 m-85 -59.39 -27.77 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -106.01 14.86 27.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.11 -60.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.5 OUTLIER -151.43 38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.3 tp10 -116.3 -51.07 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.5 m0 -76.97 -44.15 2.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.92 7.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 41' ' ' SER . 23.9 p -114.7 19.98 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-30 -103.45 -18.83 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.506 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 0.4 OUTLIER 72.88 95.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -168.4 -56.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 161.61 36.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -107.68 116.3 57.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.05 169.18 23.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -114.14 -7.6 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 88.22 169.25 44.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.477 ' CG2' HG13 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -155.83 146.22 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 19.9 m-85 -99.74 49.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -109.82 107.05 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 90' ' ' VAL . 5.3 tp -51.22 -27.21 8.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.7 m -62.43 -54.59 37.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG13 ' CG2' ' A' ' 55' ' ' THR . 0.8 OUTLIER -70.51 -40.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 50.2 mt -54.69 -49.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.1 -34.89 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -52.22 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.541 HG12 ' CG ' ' A' ' 43' ' ' TRP . 18.4 t -61.38 -40.52 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 5.1 tttt -63.96 -50.75 67.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.15 43.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' A' ' 46' ' ' PHE . 68.2 mt -76.9 -49.88 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.4 m -68.76 -34.8 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 29.5 m-85 -89.3 33.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 4.2 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.55 19.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.6 OUTLIER -87.5 -36.36 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.19 -17.12 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 6.1 mt-30 -49.7 -48.75 76.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -23.09 14.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.3 m-85 -76.71 -50.08 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 43' ' ' TRP . 8.3 tp -63.32 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.1 m -59.08 -51.62 69.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 19' ' ' ILE . 94.6 t -54.7 -47.46 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.634 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 31.6 m95 -51.25 -50.09 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.029 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.11 -33.3 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.3 -32.31 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -62.81 -46.9 85.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 58' ' ' LEU . 24.6 m -65.06 -41.65 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.41 ' N ' HG21 ' A' ' 90' ' ' VAL . 17.1 mm-40 -64.52 -71.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.5 76.15 9.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p -53.58 111.17 2.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.1 Cg_endo -75.03 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.24 13.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 97' ' ' ILE . 10.3 p-90 -80.32 -8.11 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.653 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 9.8 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 HG23 ' CD ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 -44.58 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 13' ' ' LEU . 22.4 tp -66.33 -39.65 89.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t -71.84 -39.26 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.58 -49.33 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -58.81 -38.68 79.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 47.0 mt -70.21 -43.86 69.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -57.23 -35.59 69.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.513 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 57.9 m-70 -110.81 40.18 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.581 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 41.8 t-105 -49.5 -38.32 29.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.034 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.7 m -53.29 -35.57 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 10.9 tt0 -76.38 -40.56 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 ' CD1' HD22 ' A' ' 89' ' ' LEU . 13.3 mm -65.96 -35.85 76.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.8 mtm180 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.16 -43.4 28.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -54.93 -32.25 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' CA ' HG21 ' A' ' 28' ' ' VAL . . . -76.12 -41.59 49.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -47.42 78.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -30.34 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.6 mt -86.76 0.77 54.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.0 m 58.48 45.43 16.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 HG21 ' CA ' ' A' ' 23' ' ' ALA . 31.1 m -137.64 157.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -120.08 141.29 49.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 82' ' ' TYR . 10.5 pt -144.12 166.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -121.97 168.02 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.1 ttpp -86.2 -41.17 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -54.32 -50.34 56.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.601 1.188 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.1 Cg_endo -75.02 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 15.3 t-105 -48.96 -39.87 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.51 -48.64 18.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.6 m -54.08 -52.21 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 9.2 m-85 -57.48 -31.11 65.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.84 16.79 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -101.24 -65.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' OG ' HG22 ' A' ' 45' ' ' THR . 9.1 t -141.82 32.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.618 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 tp10 -115.99 -51.02 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.701 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.2 m0 -77.06 -42.28 2.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.037 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.08 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.81 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.431 HG22 ' OG ' ' A' ' 41' ' ' SER . 33.2 p -120.68 22.53 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.6 m-30 -97.22 16.11 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 42.54 59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.54 -44.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 39.92 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 10.5 t-105 -103.92 125.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.56 3.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' CD ' HG23 ' A' ' 7' ' ' THR . 7.2 pt-20 -74.2 -20.28 60.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 100.06 -179.59 29.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -162.98 140.34 7.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 97' ' ' ILE . 38.5 m-85 -94.57 33.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -94.27 107.62 19.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.4 tp -47.58 -39.07 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.2 m -53.89 -52.88 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.4 t -68.42 -43.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 74.2 mt -56.84 -52.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -53.39 -36.73 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' CB ' HG23 ' A' ' 48' ' ' VAL . 61.8 mm-40 -65.07 -52.8 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 43' ' ' TRP . 15.6 t -66.77 -41.16 87.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 83' ' ' ILE . 4.9 tttt -62.48 -53.68 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.89 -35.32 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 46' ' ' PHE . 36.7 mt -61.66 -50.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 65' ' ' LYS . 1.5 m -72.39 -34.62 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 22.6 m-85 -89.79 25.44 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 79' ' ' GLN . 5.8 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -6.08 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.638 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.4 m-20 -83.24 -40.01 20.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 9.4 mt-30 -88.1 -16.8 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt-30 -48.8 -48.59 70.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 6.5 m-85 -76.24 -49.77 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 65' ' ' LYS . 8.7 tp -70.04 -35.67 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 80' ' ' GLN . 2.7 m -51.31 -42.94 61.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.28 -37.89 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 18.9 m95 -59.12 -48.69 80.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -33.96 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.76 -38.26 70.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -54.86 -43.89 73.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.9 t -65.01 -54.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -46.68 -71.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -90.6 85.29 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.0 p -62.98 111.75 5.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.582 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 168.0 25.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.602 ' CE3' HG13 ' A' ' 97' ' ' ILE . 41.3 p-90 -80.53 -5.55 56.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.605 HD13 ' CE1' ' A' ' 56' ' ' PHE . 16.5 mt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.92 -42.39 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -70.75 -46.18 63.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.4 -42.06 81.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 3.1 p -66.29 -54.38 25.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.99 -43.1 86.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.05 -19.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.479 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.5 m-70 -126.34 37.86 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.532 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 43.3 t-105 -48.35 -37.9 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -53.44 -41.86 66.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -69.9 -45.66 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.501 HG23 ' CH2' ' A' ' 35' ' ' TRP . 4.8 mm -61.67 -33.97 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -71.06 -32.16 68.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -44.03 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -56.9 -33.81 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . -64.91 -41.71 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.15 99.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.51 -35.62 73.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -80.65 -9.19 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m 65.96 42.41 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 4.6 m -140.83 152.35 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' ILE . 3.3 tp10 -112.36 140.89 46.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.623 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 18.8 pt -141.28 162.75 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -114.93 166.26 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 6.8 tttt -92.01 -13.51 30.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.61 -50.36 5.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -74.97 -38.3 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 16.3 t-105 -49.68 -38.9 34.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ALA . 6.1 ttp180 -76.59 -49.34 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -52.28 62.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CE1' ' NE2' ' A' ' 79' ' ' GLN . 11.1 m-85 -58.7 -29.34 66.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -104.62 16.27 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -100.05 -59.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.473 ' O ' ' CG2' ' A' ' 45' ' ' THR . 41.6 t -152.23 37.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.58 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 3.5 tp10 -117.06 -49.4 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.1 m0 -77.36 -43.65 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 108.038 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 3.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 41' ' ' SER . 6.1 p -111.85 12.76 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.1 m-30 -95.66 -4.08 44.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.506 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 1.0 OUTLIER 57.22 93.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 2.0 m -164.51 -71.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.404 ' H ' ' CG2' ' A' ' 48' ' ' VAL . . . 178.35 33.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 24.6 t-105 -106.41 114.23 62.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 171.41 18.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.73 8.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 7.6 mp0 -115.98 -11.12 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.466 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.36 176.11 44.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.594 ' CG2' HG12 ' A' ' 60' ' ' VAL . 13.2 t -160.78 157.72 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 40.2 m-85 -108.24 47.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.1 106.74 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD13 ' CG ' ' A' ' 87' ' ' GLN . 4.2 tp -52.37 -28.31 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -61.19 -53.08 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.594 HG12 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.71 -40.77 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' N ' HG11 ' A' ' 60' ' ' VAL . 46.9 mt -54.63 -49.58 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -34.23 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.29 -51.67 35.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.535 HG12 ' CG ' ' A' ' 43' ' ' TRP . 25.3 t -65.42 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 5.3 tttt -65.07 -50.46 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.75 33.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 46' ' ' PHE . 62.1 mt -75.36 -51.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 69' ' ' PHE . 1.5 m -68.88 -28.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 30.2 m-85 -97.95 28.15 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 14.4 m-70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.8 20.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.9 t0 -87.67 -38.47 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.578 ' NE2' ' CE1' ' A' ' 38' ' ' PHE . 64.7 mt-30 -88.01 -16.79 32.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 13.0 mt-30 -48.74 -49.12 68.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.96 -23.22 14.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -76.61 -49.84 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' CG2' HG22 ' A' ' 68' ' ' VAL . 10.9 tp -66.77 -25.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -65.94 -51.06 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' HG22 ' A' ' 19' ' ' ILE . 98.4 t -54.73 -40.33 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.579 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 22.2 m95 -61.49 -37.21 82.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' CG ' HD13 ' A' ' 58' ' ' LEU . 2.6 tt0 -68.53 -37.31 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 9.1 t0 -74.76 -29.02 60.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.94 -53.24 49.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 91' ' ' GLN . 35.5 m -58.74 -43.62 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' N ' HG21 ' A' ' 90' ' ' VAL . 53.2 mt-30 -60.93 -65.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' SER . 51.6 m-80 -87.59 54.14 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 77.7 p -37.02 112.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.99 164.9 32.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -23.34 13.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.589 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 61.9 p-90 -80.41 -10.93 59.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.443 HG21 ' CG ' ' A' ' 53' ' ' GLU . 9.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -49.67 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.451 1.764 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 12' ' ' THR . 24.6 tp -58.37 -41.47 84.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -66.36 -44.09 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 mt -61.35 -41.26 96.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 1.6 p -66.63 -50.57 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 48.9 mt -59.03 -46.1 89.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.55 -31.23 56.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HD2' ' CE3' ' A' ' 96' ' ' TRP . 47.4 m-70 -115.69 38.28 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' NE ' ' A' ' 20' ' ' ARG . 43.4 t-105 -48.82 -37.73 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.58 -42.26 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.82 -45.56 67.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 19' ' ' ILE . 4.7 mm -61.82 -36.72 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.5 mtm180 -71.27 -28.56 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -49.37 54.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -54.14 -39.58 66.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' SER . . . -58.77 -42.53 89.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -45.84 89.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.3 -34.89 79.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.65 -15.63 56.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 t 74.69 43.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.056 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.6 m -137.25 158.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.96 136.37 54.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 82' ' ' TYR . 13.7 pt -140.92 168.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -121.0 166.62 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 13' ' ' LEU . 13.6 tttp -91.96 -21.74 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -71.49 -50.05 22.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -75.02 -38.83 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.437 1.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.0 t-105 -49.32 -39.36 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -77.3 -49.69 14.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -54.6 -52.28 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.5 m-85 -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.68 14.98 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.62 -47.33 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.95 38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.6 tp10 -119.31 -47.44 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 19.1 m0 -75.23 -44.33 4.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.5 5.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 p -115.48 21.44 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-30 -99.81 -18.65 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 8.0 t0 76.0 87.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 1.6 m -161.55 -44.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.81 40.73 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 20.7 t-105 -105.08 127.58 28.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 168.79 24.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.26 5.55 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CG ' HG21 ' A' ' 7' ' ' THR . 53.3 mm-40 -81.81 -25.54 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.06 175.52 22.8 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 ' CG2' HG11 ' A' ' 60' ' ' VAL . 15.1 t -155.99 145.23 20.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.628 ' CZ ' HD13 ' A' ' 97' ' ' ILE . 35.9 m-85 -97.73 47.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -112.8 106.88 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 90' ' ' VAL . 8.6 tp -45.8 -41.1 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -54.8 -48.36 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' A' ' 55' ' ' THR . 79.6 t -70.22 -33.6 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' HG11 ' A' ' 90' ' ' VAL . 58.8 mt -65.72 -52.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -25.55 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.99 -52.27 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG13 ' CG ' ' A' ' 43' ' ' TRP . 4.5 t -72.11 -37.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 3.8 ttmt -60.79 -53.31 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.43 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.77 -52.27 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.5 m -68.1 -35.48 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 80' ' ' GLN . 15.5 m-85 -84.76 8.5 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.445 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 4.4 m-70 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -10.36 21.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t70 -82.2 -35.96 27.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.425 ' HG2' ' CD2' ' A' ' 38' ' ' PHE . 40.2 mt-30 -88.32 -17.1 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.61 ' OE1' ' CE2' ' A' ' 69' ' ' PHE . 9.3 mt-30 -49.04 -48.14 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -24.01 13.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.7 m-85 -75.66 -49.35 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 84' ' ' THR . 5.1 tp -70.11 -35.08 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.9 m -53.12 -42.28 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.44 ' CG1' HG22 ' A' ' 19' ' ' ILE . 39.0 t -64.71 -43.39 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.631 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 10.9 m95 -51.43 -49.54 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 90' ' ' VAL . 2.2 tm0? -54.0 -31.87 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.54 -29.0 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' CH2' ' A' ' 96' ' ' TRP . 0.5 OUTLIER -66.78 -52.52 43.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 58' ' ' LEU . 32.8 m -64.66 -33.2 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 90' ' ' VAL . 3.5 mm-40 -70.32 -68.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 71.2 m-20 -87.63 56.62 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.5 p -37.59 111.47 0.56 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.547 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -75.02 168.16 25.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -24.21 12.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.633 ' CE3' HG13 ' A' ' 97' ' ' ILE . 13.9 p-90 -80.11 -5.2 55.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.633 HG13 ' CE3' ' A' ' 96' ' ' TRP . 28.6 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.615 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 110.432 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.05 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 13' ' ' LEU . 8.9 tp -70.42 -36.62 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' ASP . 8.1 t -76.87 -48.15 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.615 ' CD2' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -53.07 -56.25 17.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 41.5 p -51.94 -44.75 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 35' ' ' TRP . 4.2 mm? -68.78 -34.43 75.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' SER . 1.5 m-20 -78.03 -6.99 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -134.66 35.22 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.604 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.551 ' CH2' HG13 ' A' ' 30' ' ' ILE . 47.0 t-105 -48.43 -38.77 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.9 m -53.33 -44.1 68.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 34.0 tt0 -68.36 -45.87 71.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CH2' ' A' ' 35' ' ' TRP . 5.0 mm -60.43 -36.39 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtm105 -70.25 -30.14 67.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -47.3 69.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 7.9 mtt-85 -59.71 -35.38 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -34.87 71.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -67.46 -46.65 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.32 -30.22 70.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 84' ' ' THR . 87.4 mt -87.49 -12.76 45.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 67.85 56.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.8 m -144.35 145.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.21 138.44 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.585 HG21 ' CD1' ' A' ' 82' ' ' TYR . 10.8 pt -142.45 161.56 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.42 166.37 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' CD ' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.74 -17.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.504 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -75.43 -49.96 8.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 -38.53 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.618 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.9 t-105 -49.43 -46.64 47.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -70.25 -49.54 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -54.44 -51.98 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.6 m-85 -56.85 -28.79 62.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -105.44 13.65 29.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.34 -57.28 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -155.17 38.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.627 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -117.48 -50.09 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.661 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.0 m0 -76.76 -44.02 3.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.03 1.59 7.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 41' ' ' SER . 45.5 p -119.0 21.25 12.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.5 m-30 -97.48 -17.66 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 2.5 m-20 77.43 83.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 6.9 m -159.4 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 143.79 44.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -103.98 126.13 32.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.98 164.09 34.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -72.81 -29.25 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 114.4 174.43 18.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -162.8 149.89 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.1 m-85 -110.86 36.16 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -93.2 109.37 20.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.3 tp -46.83 -44.35 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -54.35 -43.77 71.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.9 t -75.39 -39.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 58.3 mt -62.55 -53.63 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.48 -27.83 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.58 -52.46 21.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 43' ' ' TRP . 8.0 t -70.91 -39.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 68' ' ' VAL . 5.2 tttt -59.31 -48.94 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.87 64.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.51 HG21 ' CD2' ' A' ' 46' ' ' PHE . 65.7 mt -77.73 -40.52 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.57 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.1 m -78.23 -29.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.7 m-85 -96.7 33.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 1.7 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.6 18.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.623 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 t0 -86.16 -37.45 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.23 -17.68 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 9.5 mt-30 -49.66 -48.61 76.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.93 -23.88 13.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.3 m-85 -75.12 -50.44 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.22 -32.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.463 HG21 ' CD1' ' A' ' 26' ' ' LEU . 3.1 m -53.54 -45.82 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 19' ' ' ILE . 75.2 t -62.8 -41.66 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.618 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 27.2 m95 -56.4 -47.49 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.84 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -59.25 -36.53 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 96' ' ' TRP . 8.0 mt -58.21 -49.77 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 48.3 t -56.42 -45.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.58 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.2 m-80 -86.43 55.43 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 6.8 p -37.15 113.5 0.63 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.499 ' CD ' HD13 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -75.01 166.3 29.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.99 12.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.638 ' CE3' HG13 ' A' ' 97' ' ' ILE . 30.5 p-90 -80.24 -8.75 59.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 5.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 95.7 p -74.67 123.46 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -165.98 113.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.17 161.71 35.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -129.53 74.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -171.1 148.2 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.77 133.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.471 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 15.3 p -109.87 161.24 25.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.95 -46.26 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -54.77 -41.56 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -41.4 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 7' ' ' THR . 10.8 mt -62.81 -38.55 91.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 9.4 p -72.52 -54.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.413 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 35' ' ' TRP . 57.2 mt -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.98 -38.52 91.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.484 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 39.6 m-70 -107.1 39.03 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.62 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.8 t-105 -47.68 -37.36 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -54.09 -41.99 68.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -68.86 -42.39 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.524 HG21 ' CH2' ' A' ' 35' ' ' TRP . 2.3 mm -62.02 -37.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 30.1 mtm105 -71.25 -31.8 67.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -45.85 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -60.5 -29.97 69.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.58 67.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.18 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.28 -28.02 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.89 -12.6 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t 72.9 44.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.59 160.17 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 141.16 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 82' ' ' TYR . 6.2 pt -144.31 162.67 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -113.06 166.09 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -92.69 -13.09 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.75 -50.17 5.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -74.95 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 10.8 t-105 -49.23 -38.9 28.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.3 m -54.82 -52.24 63.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 10.7 m-85 -58.36 -29.26 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.93 14.5 31.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.47 -60.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.3 OUTLIER -152.27 36.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.3 tp10 -115.73 -50.64 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.2 m0 -75.91 -43.79 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 1.75 7.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 41' ' ' SER . 71.7 p -118.92 16.09 13.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.4 m-30 -91.7 -18.89 23.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' PHE . 1.9 t70 78.27 84.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.429 ' CG1' HD13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -159.94 -45.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.47 41.0 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 16.5 t-105 -104.45 125.5 33.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.01 163.18 35.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.65 16.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 6.3 mp0 -87.73 -25.7 23.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.2 172.67 21.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.453 ' CG2' HG12 ' A' ' 60' ' ' VAL . 14.3 t -163.14 142.44 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 37.8 m-85 -99.25 38.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -99.83 109.44 21.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 90' ' ' VAL . 0.9 OUTLIER -46.72 -37.19 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -58.9 -51.52 69.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 55' ' ' THR . 86.6 t -68.82 -33.3 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 57.4 mt -66.63 -53.59 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.51 -25.96 40.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.28 -52.23 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.591 HG13 ' CD1' ' A' ' 43' ' ' TRP . 11.7 t -67.72 -40.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 -35.37 78.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.71 55.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 HD13 ' CG1' ' A' ' 48' ' ' VAL . 3.3 mt -65.61 -41.74 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 69' ' ' PHE . 5.9 t -60.21 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 26.8 m-85 -90.31 41.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -85.91 -174.11 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.38 139.71 39.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.04 -168.25 16.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.5 14.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.21 -34.91 57.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.9 p -47.65 148.4 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.532 ' CG ' ' OE1' ' A' ' 79' ' ' GLN . 98.7 m-70 -113.91 94.45 33.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.1 21.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.6 m-20 -89.3 -37.29 15.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 29.2 mt-30 -88.11 -17.35 31.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.2 mt-30 -49.16 -48.52 73.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.96 -23.14 14.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -77.14 -49.84 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.468 ' CD1' HG11 ' A' ' 64' ' ' VAL . 10.9 tp -68.46 -29.77 45.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -59.61 -52.68 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.453 ' CG1' HG23 ' A' ' 19' ' ' ILE . 53.1 t -54.75 -45.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 21.4 m95 -53.23 -37.82 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.74 -41.63 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -37.22 86.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -56.47 -54.5 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.447 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 85.4 t -50.7 -65.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -39.96 -67.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -90.07 71.76 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -55.19 114.62 7.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.45 13.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 66.2 p-90 -80.3 -10.54 59.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt -100.67 -61.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -110.91 117.52 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -109.41 135.23 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.83 162.0 35.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.4 m 63.46 82.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 63.7 p -62.21 109.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.057 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.53 114.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.94 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.17 -168.47 12.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.16 -60.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.99 166.16 22.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.25 126.16 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 5.8 p -97.4 155.92 36.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.55 -48.8 68.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -64.56 -46.01 84.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 7' ' ' THR . 13.6 mt -55.68 -51.15 68.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -31.66 72.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CD2' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.84 -42.73 60.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.54 -36.22 77.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.476 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 54.4 m-70 -107.66 36.68 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CH2' HG13 ' A' ' 30' ' ' ILE . 38.8 t-105 -48.02 -36.38 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -54.82 -45.32 74.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.05 -41.05 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.403 HG23 ' CH2' ' A' ' 35' ' ' TRP . 6.3 mm -66.43 -35.79 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 40.7 mtm180 -71.59 -26.6 62.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -47.75 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -55.87 -31.23 62.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 27' ' ' SER . . . -71.01 -37.99 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -42.19 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -36.35 82.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.52 -18.64 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 t 78.0 50.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.7 154.81 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 139.73 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.588 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 5.1 pt -143.3 157.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 6.2 mmpt? -110.09 165.64 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 5.0 tttt -92.77 -11.53 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.7 -50.83 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.3 t-105 -49.67 -38.96 34.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -49.4 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -55.46 -48.35 74.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.4 m-85 -56.61 -40.69 75.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 t -89.01 8.96 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.98 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.49 40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 2.9 tp10 -117.9 -49.37 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.2 m0 -75.54 -44.36 4.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.1 Cg_endo -75.05 1.46 7.74 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 41' ' ' SER . 1.9 p -112.19 20.22 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CZ ' ' NE2' ' A' ' 76' ' ' HIS . 8.8 m-30 -101.35 -17.78 16.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 0.2 OUTLIER 74.63 89.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 6.7 m -160.84 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.31 41.07 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 17.9 t-105 -104.44 126.51 31.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.01 163.43 35.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.57 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -75.77 -16.38 60.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.4 174.44 31.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' HG12 ' A' ' 60' ' ' VAL . 8.7 t -160.8 153.43 20.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.713 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.8 m-85 -110.27 41.31 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -104.36 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.4 -43.28 11.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 m -55.25 -50.1 70.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 55' ' ' THR . 55.2 t -68.12 -32.21 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 90' ' ' VAL . 75.0 mt -68.98 -52.51 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.74 -27.8 30.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.3 -53.01 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 43' ' ' TRP . 9.1 t -66.63 -39.04 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 9.4 tttt -58.1 -37.32 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.84 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.86 -42.53 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 69' ' ' PHE . 15.4 t -59.18 -51.21 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 24.3 m-85 -91.54 42.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.89 -172.47 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.83 153.75 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.56 -178.17 31.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.14 14.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.48 -28.04 58.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 p -44.65 151.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.646 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 46.5 m-70 -115.92 88.12 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.55 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.81 16.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.619 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 26.3 t0 -82.68 -33.52 27.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.04 -17.34 31.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 11.7 mt-30 -49.44 -48.82 74.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.04 -24.0 13.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.5 m-85 -74.56 -50.11 19.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.408 ' CD1' HG12 ' A' ' 64' ' ' VAL . 8.4 tp -65.69 -34.9 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -54.41 -51.26 65.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -57.68 -43.97 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.655 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 33.1 m95 -53.53 -44.91 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.34 -47.66 83.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.38 -40.41 74.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.26 -54.47 43.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 58' ' ' LEU . 75.0 t -51.48 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -43.96 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -92.47 65.82 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 p -49.09 117.58 6.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.57 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 165.02 32.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.52 13.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 58.7 p-90 -80.51 -9.38 59.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.713 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.9 mt -102.31 -60.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -143.2 116.52 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.2 t -104.09 134.56 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -67.15 162.91 45.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.43 9.92 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.7 m -98.98 111.19 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.1 m 62.96 111.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 t -90.06 79.7 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.71 79.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.59 84.58 1.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.3 m 58.75 78.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.3 100.91 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.01 127.65 2.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 40.2 p -100.39 160.42 27.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 46.9 tp -53.12 -46.48 68.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -65.59 -45.9 81.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 7' ' ' THR . 8.9 mt -59.48 -45.1 92.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -63.36 -49.96 71.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' CD2' ' CD1' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -59.5 -46.74 87.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.79 -22.3 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.7 m-70 -122.97 41.77 3.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 40.7 t-105 -51.31 -36.32 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -54.27 -46.26 72.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.46 -41.17 96.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.452 HG22 ' CG1' ' A' ' 85' ' ' VAL . 5.5 mm -66.89 -36.57 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.53 -28.08 63.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.5 m -74.09 -48.72 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -54.03 -33.47 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.18 -33.68 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -41.09 85.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -28.14 62.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.44 -8.8 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m 65.6 51.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -144.57 151.39 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.72 143.64 44.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.611 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 20.4 pt -144.1 168.32 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -117.79 166.09 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE3' ' CD1' ' A' ' 16' ' ' TRP . 3.9 ttmt -93.49 -12.52 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.35 -50.12 5.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 29.4 t-105 -49.69 -39.36 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -77.51 -49.83 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -54.49 -50.66 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.9 m-85 -55.69 -33.83 64.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -100.03 12.78 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 108.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.58 -55.62 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -159.01 38.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 4.1 tp10 -116.4 -49.99 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.8 m0 -76.16 -44.52 3.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 41' ' ' SER . 5.5 p -110.53 19.64 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.5 m-30 -102.65 6.16 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.62 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.7 m -151.68 -59.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.0 40.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 32.0 t-105 -105.58 125.55 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 165.09 31.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.04 2.76 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' CG2' ' A' ' 7' ' ' THR . 54.0 mm-40 -76.76 -21.98 54.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 105.17 174.71 24.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.5 t -157.49 140.71 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 23.1 m-85 -97.33 43.03 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.02 132.48 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.33 -25.35 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.0 m -74.39 -52.57 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.53 -36.23 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 25.7 mt -61.75 -45.25 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.4 m-85 -60.93 -33.33 72.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -58.38 -52.16 66.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.584 HG13 ' CD1' ' A' ' 43' ' ' TRP . 24.9 t -68.14 -34.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -64.19 -36.89 85.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.68 55.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mt -66.02 -41.0 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG11 ' CD1' ' A' ' 69' ' ' PHE . 17.3 t -60.93 -47.13 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 18.9 m-85 -96.04 48.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -96.2 175.97 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.74 139.22 33.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.79 -171.45 15.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -4.18 15.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.89 -35.12 51.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.63 150.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.481 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 80.0 m-70 -115.59 90.93 27.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.1 19.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 3.4 m-20 -88.26 -35.95 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 49.1 mt-30 -88.29 -17.45 30.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt-30 -49.24 -48.31 74.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.0 -23.22 14.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -76.78 -49.05 16.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 tp -67.94 -37.47 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.6 m -53.28 -50.88 63.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' HG22 ' A' ' 19' ' ' ILE . 76.7 t -54.48 -45.78 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.728 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.9 m95 -52.65 -44.1 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -59.85 -44.3 94.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.55 -38.44 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 HD21 ' CH2' ' A' ' 96' ' ' TRP . 12.2 mt -56.86 -52.24 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.536 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 98.3 t -64.72 -57.96 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' VAL . 3.1 mt-30 -37.87 -54.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' SER . 11.0 m-80 -112.47 63.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' ASN . 54.0 p -38.46 116.96 0.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.571 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.5 Cg_endo -74.92 166.4 29.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -24.45 12.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 97' ' ' ILE . 63.9 p-90 -80.19 -7.76 59.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt -105.52 -54.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.57 -168.89 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -143.29 115.85 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.23 146.43 18.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.447 1.092 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -171.02 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 t -115.47 113.31 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.0 p -106.44 146.56 30.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 m -147.59 -58.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.85 170.7 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.54 177.64 48.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.15 -59.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -104.06 168.93 8.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.28 124.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 14.4 p -97.97 159.06 31.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -46.29 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -53.43 -47.49 69.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -65.41 -42.52 92.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 7' ' ' THR . 10.0 mt -60.33 -48.96 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 3.2 p -65.03 -54.58 28.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -54.35 -28.74 44.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -76.22 -27.03 56.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.7 m-70 -117.8 42.28 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.528 ' CH2' HG13 ' A' ' 30' ' ' ILE . 46.8 t-105 -49.86 -34.54 20.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -46.02 75.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.85 -42.99 97.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG23 ' CD1' ' A' ' 30' ' ' ILE . 24.6 mm -62.33 -43.58 98.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -68.33 -26.19 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -49.18 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -60.34 -37.17 79.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -68.22 -36.64 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -45.88 82.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -27.63 67.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 84' ' ' THR . 96.0 mt -88.16 -10.42 50.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 69.93 48.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 23' ' ' ALA . 12.7 m -139.38 151.33 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -113.27 131.86 55.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.576 HG21 ' CE1' ' A' ' 82' ' ' TYR . 20.1 pt -136.86 156.93 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 mtmt -115.15 166.84 11.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -89.15 -32.6 17.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -61.32 -50.85 62.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.98 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.494 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.9 t-105 -48.97 -42.09 36.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 24.4 ttt85 -73.08 -48.99 31.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -54.7 -52.55 62.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 11.5 m-85 -57.64 -28.84 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.26 12.05 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' ARG . . . -95.2 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -143.75 37.03 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.5 tp10 -115.15 -51.68 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 41.8 m0 -77.43 -43.31 2.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.04 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 41' ' ' SER . 38.8 p -116.81 21.67 13.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.451 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.9 m-30 -101.92 1.89 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 98.3 m-20 55.54 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 14.1 m -157.76 -52.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.67 42.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 15.5 t-105 -105.21 125.59 33.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 163.32 35.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.21 2.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.3 mp0 -74.82 -12.75 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.87 176.06 36.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 t -159.56 152.1 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 97' ' ' ILE . 31.3 m-85 -109.29 39.69 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -105.35 109.79 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -45.62 -39.77 8.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -57.08 -51.38 69.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.9 -30.35 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 73.8 mt -70.0 -53.55 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.81 -25.14 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.24 -52.51 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.574 HG12 ' CD1' ' A' ' 43' ' ' TRP . 13.0 t -68.48 -44.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 4.0 tttt -54.14 -36.95 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.36 -53.64 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.46 -43.83 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 69' ' ' PHE . 17.7 t -57.54 -52.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.501 ' CD1' HG12 ' A' ' 68' ' ' VAL . 11.5 m-85 -87.85 41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -88.98 -173.16 3.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.07 160.17 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.19 -170.46 41.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.63 -32.88 58.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 p -43.79 148.71 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.427 ' CG ' ' NE2' ' A' ' 79' ' ' GLN . 57.8 m-70 -116.63 91.25 33.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.07 16.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -84.09 -36.59 22.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.572 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -88.12 -17.66 30.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.7 mt-30 -49.3 -48.77 73.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.1 Cg_endo -75.04 -26.96 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.0 m-85 -69.9 -50.18 44.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.79 -33.79 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.452 ' CG2' HD12 ' A' ' 26' ' ' LEU . 1.1 m -56.55 -46.78 80.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.432 ' CG1' HG21 ' A' ' 19' ' ' ILE . 17.2 t -54.98 -46.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.494 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 72.1 m95 -52.02 -49.87 62.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -55.08 -52.21 63.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.75 -42.01 78.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 HD11 ' CG1' ' A' ' 85' ' ' VAL . 6.7 mt -54.85 -54.26 44.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 89.6 t -50.26 -55.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -47.73 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -91.42 71.67 6.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 p -57.46 109.81 2.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.597 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -75.04 165.97 30.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.2 14.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.617 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.5 p-90 -80.0 -9.65 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.617 HG13 ' CE3' ' A' ' 96' ' ' TRP . 18.3 mt -104.99 -60.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 121.69 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.7 p -115.44 130.22 56.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.8 121.69 11.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.99 5.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.75 -75.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 m -152.7 156.8 39.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.5 p -121.31 160.09 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.84 168.66 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.4 150.0 22.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.81 96.84 6.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -167.24 -62.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 125.08 9.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 12.8 p -99.91 160.37 27.42 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.65 -46.4 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -66.9 -42.56 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 7' ' ' THR . 9.9 mt -60.36 -38.31 83.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -74.19 -48.62 27.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 36' ' ' ARG . 61.8 mt -61.83 -45.26 94.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.95 -43.14 66.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.412 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 61.7 m-70 -102.67 38.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 38.8 t-105 -47.77 -37.95 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 m -53.46 -41.24 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 tt0 -71.14 -50.04 37.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.609 ' CG2' ' CH2' ' A' ' 35' ' ' TRP . 3.4 mm -55.9 -36.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtp85 -67.01 -33.9 76.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -69.69 -39.15 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -58.23 -32.92 68.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.72 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -44.58 87.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -27.1 63.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.26 14.5 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t 41.91 50.46 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.72 163.32 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -124.0 136.52 54.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.4 pt -140.7 173.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -129.55 166.95 18.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 8.6 tttt -91.55 -21.44 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -72.17 -50.5 16.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.05 -38.02 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.615 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.1 t-105 -49.1 -39.27 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 1.4 ttt85 -77.52 -49.4 14.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -54.68 -52.75 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.8 m-85 -56.69 -30.51 63.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 t -102.38 13.64 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.68 -58.35 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.8 OUTLIER -154.09 36.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.5 tp10 -116.27 -48.22 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 27.9 m0 -78.37 -43.82 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 107.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 41' ' ' SER . 68.6 p -120.15 16.66 12.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 1.7 m-30 -90.23 -3.41 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.84 82.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -159.76 -59.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.56 41.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 14.9 t-105 -105.46 123.67 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.03 165.04 32.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -25.37 12.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -85.69 -20.97 28.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 102.13 173.9 27.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -160.82 140.37 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 41.8 m-85 -94.43 30.53 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.78 109.2 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 90' ' ' VAL . 1.1 tp -46.47 -40.66 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -56.72 -52.9 63.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.18 -30.25 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.531 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 92.5 mt -69.74 -53.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.99 -26.39 36.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.72 -52.37 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.571 HG12 ' CD1' ' A' ' 43' ' ' TRP . 7.2 t -69.44 -40.25 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.18 -37.64 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.27 -53.24 60.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.59 -45.38 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.561 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 11.7 t -56.1 -51.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CD1' HG13 ' A' ' 68' ' ' VAL . 13.7 m-85 -89.78 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -86.74 -176.1 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.0 142.02 37.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.21 -167.06 14.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -3.56 14.1 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.607 ' O ' ' CD2' ' A' ' 76' ' ' HIS . . . -76.7 -32.59 49.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -41.07 144.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 74' ' ' GLY . 4.1 m-70 -116.4 87.93 22.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.69 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.616 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 32.0 m-20 -87.99 -39.99 14.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 11.9 mt-30 -87.99 -17.19 31.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.4 mt-30 -48.56 -48.69 67.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -74.99 -24.25 13.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 6.3 m-85 -75.33 -49.11 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 tp -71.0 -31.26 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -59.54 -51.77 68.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 19' ' ' ILE . 24.2 t -54.86 -43.99 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.615 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 8.1 m95 -51.57 -48.81 63.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -55.12 -31.83 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.96 -40.51 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.74 -42.21 71.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 98.7 t -68.54 -54.89 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -92.17 76.78 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 p -53.4 114.17 5.77 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.487 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -74.98 165.25 31.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.72 13.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.55 ' CE3' HG13 ' A' ' 97' ' ' ILE . 20.3 p-90 -80.63 -8.87 59.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 mt -103.71 -62.86 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 97' ' ' ILE . 15.7 mttt -125.83 117.68 23.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -141.6 141.9 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.2 -86.58 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -177.17 113.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 t -133.59 104.48 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 84.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.733 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p 48.47 80.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.64 167.42 0.71 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -170.35 106.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -80.25 -17.53 51.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.77 153.43 48.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 10.2 p -129.43 156.54 78.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . 18.2 Cg_endo -75.01 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.01 -47.32 71.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -69.87 -35.47 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 7' ' ' THR . 8.3 mt -64.54 -43.36 94.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 p -68.39 -52.32 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 9' ' ' LEU . 4.9 mt -55.61 -47.25 76.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.5 -22.26 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 56.5 m-70 -128.51 42.05 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.9 t-105 -49.14 -35.47 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -45.63 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.23 -45.95 78.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.475 ' CG2' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm -61.36 -37.52 77.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 12.9 mtm180 -71.48 -31.04 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -44.25 82.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -59.9 -32.83 71.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . -64.07 -41.89 97.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -40.57 92.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -34.32 70.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.78 -10.12 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 68.62 41.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 14.4 m -139.5 151.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -111.91 141.34 45.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.611 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 17.1 pt -142.86 169.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -123.48 166.46 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -90.12 -22.72 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -70.66 -50.54 24.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.3 Cg_endo -75.01 -37.85 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.643 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.7 t-105 -49.43 -38.84 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -78.02 -48.15 16.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -54.76 -52.88 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 8.9 m-85 -57.06 -26.65 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.9 t -107.65 14.3 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.78 -53.92 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.3 OUTLIER -157.52 34.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -116.28 -49.59 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.649 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -75.83 -44.81 4.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 1.68 7.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 41' ' ' SER . 35.0 p -115.95 21.48 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.04 -7.5 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.23 88.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -164.29 -43.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.57 40.58 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 18.9 t-105 -105.08 123.18 40.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -74.98 166.3 29.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -35.61 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 16.6 mp0 -75.71 -11.43 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.96 177.53 42.22 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.469 ' CG2' HG11 ' A' ' 60' ' ' VAL . 15.1 t -160.46 149.73 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 19.9 m-85 -102.75 30.42 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -97.46 109.28 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.94 -38.79 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 m -56.64 -44.36 81.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 55' ' ' THR . 36.4 t -75.01 -33.33 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 90' ' ' VAL . 60.2 mt -67.47 -53.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -53.75 -27.86 31.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.71 -52.9 47.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.8 t -67.27 -37.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -63.35 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.59 56.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.583 ' CG2' ' CE1' ' A' ' 46' ' ' PHE . 3.1 mt -66.24 -41.85 89.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 75' ' ' SER . 24.4 t -59.77 -53.54 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 44.2 m-85 -86.74 43.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.6 pt20 -100.01 135.2 41.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLN . 4.8 t0 39.44 -153.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.78 -72.04 0.91 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.96 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.33 -15.21 41.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -83.32 -172.15 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' VAL . 95.9 m-70 -134.87 97.28 13.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.56 20.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 7.1 m-20 -89.89 -41.84 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.483 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 4.2 mp0 -88.45 -17.71 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 6.5 mt-30 -49.41 -48.4 75.1 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.05 -22.63 14.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -78.32 -49.75 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -65.5 -33.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.2 m -58.97 -49.66 77.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 19' ' ' ILE . 81.6 t -54.49 -46.85 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.643 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 17.5 m95 -53.18 -48.62 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -54.69 -34.13 61.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.15 -37.47 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.465 HD13 ' CH2' ' A' ' 96' ' ' TRP . 0.6 OUTLIER -57.35 -39.02 75.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 48.6 t -72.22 -47.48 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.29 -66.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -93.57 81.98 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 115.71 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.05 164.94 32.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.66 13.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.565 ' CE3' HG13 ' A' ' 97' ' ' ILE . 15.6 p-90 -80.42 -9.49 59.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.695 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.4 mt -103.5 -53.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -140.17 146.99 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.15 87.06 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.49 160.83 9.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -89.88 146.96 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.79 167.71 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t -151.25 146.89 26.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.056 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -96.9 159.19 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.04 143.68 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.3 128.77 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.56 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.92 134.15 13.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.495 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 1.4 p -113.31 162.1 23.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.373 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.02 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.1 tp -56.61 -38.98 72.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -69.54 -51.31 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 7' ' ' THR . 6.5 mt -55.88 -53.08 61.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 51.0 p -52.6 -54.05 38.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD23 ' CG ' ' A' ' 32' ' ' LYS . 82.5 mt -57.14 -43.12 82.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.24 -23.15 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' CD2' ' CD2' ' A' ' 96' ' ' TRP . 22.2 m-70 -121.91 38.2 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -48.79 -37.59 19.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -44.01 69.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.1 -43.6 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.458 HG23 ' CG1' ' A' ' 85' ' ' VAL . 4.9 mm -63.31 -34.35 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 34.4 mtm180 -71.24 -28.67 64.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -48.41 62.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -55.55 -34.02 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.23 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.77 -46.66 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.59 -30.76 71.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.69 -0.58 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t 56.65 49.49 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.17 151.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.35 128.79 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.581 HG23 ' CE1' ' A' ' 82' ' ' TYR . 8.4 pt -132.67 165.12 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -122.95 167.19 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' CG ' HD23 ' A' ' 13' ' ' LEU . 5.0 ttmt -88.25 -37.3 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -56.95 -50.28 65.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 18.1 t-105 -49.55 -39.48 34.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 108.009 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -77.62 -50.22 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -54.79 -52.05 63.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.3 m-85 -55.04 -36.07 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 t -95.37 11.59 32.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.52 -60.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.2 OUTLIER -153.83 38.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 tp10 -119.14 -45.17 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 16.9 m0 -78.31 -43.85 2.12 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 3.59 5.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.5 p -109.66 21.16 17.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 13.0 m-85 -94.08 -15.15 25.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.83 64.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.57 -61.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.82 41.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.572 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 12.0 t-105 -104.87 126.45 31.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 164.41 33.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.7 -24.42 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.76 172.6 22.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -158.48 146.14 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 29.3 m-85 -101.58 36.16 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -102.16 103.38 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 87' ' ' GLN . 9.1 tp -45.34 -30.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.9 m -60.87 -49.58 76.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.85 -32.65 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.8 -53.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -26.07 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -68.88 -52.4 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 43' ' ' TRP . 19.2 t -70.87 -34.35 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.602 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 4.5 ttmt -65.9 -41.86 90.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.51 -51.19 60.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.426 HG23 ' NE2' ' A' ' 70' ' ' GLN . 3.4 mt -69.7 -48.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 76' ' ' HIS . 39.7 t -52.54 -44.55 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.602 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 35.5 m-85 -93.78 36.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 -81.04 -167.75 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -107.93 150.19 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.67 -166.71 30.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.96 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.553 1.817 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.23 -38.04 71.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -49.6 150.1 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.537 ' CG ' ' OE1' ' A' ' 79' ' ' GLN . 99.6 m-70 -113.93 94.21 32.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.25 21.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.609 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -88.52 -39.05 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 9.9 mt-30 -88.14 -17.22 31.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.6 mt-30 -48.46 -48.75 66.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.98 -23.62 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.8 m-85 -76.91 -49.75 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' A' ' 43' ' ' TRP . 11.1 tp -67.53 -34.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -58.44 -45.48 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG1' HG23 ' A' ' 19' ' ' ILE . 49.3 t -54.86 -47.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.646 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 22.2 m95 -52.08 -47.69 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.472 ' CG ' HD12 ' A' ' 58' ' ' LEU . 3.2 tm0? -56.99 -36.75 70.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -34.1 62.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.94 -54.73 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 56' ' ' PHE . 30.9 m -56.09 -41.75 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.11 -58.26 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.58 50.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -41.13 108.69 0.58 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.595 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -75.01 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.24 14.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.598 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.8 p-90 -80.35 -5.41 56.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.598 HG13 ' CE3' ' A' ' 96' ' ' TRP . 15.3 mt -109.12 -61.01 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.81 97.93 10.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -124.42 107.83 11.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -92.94 157.08 23.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.34 43.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.82 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.6 t 64.53 115.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -140.63 88.18 2.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.75 148.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -172.47 -171.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.11 -50.82 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 t 56.12 76.02 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -178.12 104.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.59 128.45 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.495 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 2.6 p -102.37 158.19 32.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 -45.53 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' CD2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -52.87 -47.96 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -67.72 -40.06 84.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.0 mt -62.12 -38.47 89.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 14.7 p -74.0 -53.59 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 HD23 ' CD1' ' A' ' 35' ' ' TRP . 3.4 mm? -56.38 -34.13 66.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.29 -29.13 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.457 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.7 m-70 -117.15 46.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 40.4 t-105 -55.23 -37.75 67.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 m -53.32 -39.65 64.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.78 -42.06 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 19.3 mm -65.43 -32.45 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -71.74 -25.75 62.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -47.79 14.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -47.98 -38.14 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' CA ' HG21 ' A' ' 28' ' ' VAL . . . -76.41 -48.35 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -46.55 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 84' ' ' THR . 61.2 mt -84.48 -5.78 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m 68.95 50.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG21 ' CA ' ' A' ' 23' ' ' ALA . 2.5 m -146.06 154.5 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.13 142.34 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.6 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 18.1 pt -143.07 162.74 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtpt -114.13 166.08 11.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 10.9 ttpp -93.3 -13.02 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.83 -50.08 5.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.1 t-105 -49.3 -40.29 34.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' CD ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.69 -49.71 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -54.41 -51.7 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.0 m-85 -55.76 -31.83 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.21 12.76 36.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 36' ' ' ARG . . . -95.01 -56.0 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.43 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -158.99 39.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.7 tp10 -116.7 -50.51 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.651 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 32.8 m0 -75.65 -44.27 4.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 107.964 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.6 7.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 41' ' ' SER . 7.0 p -112.94 16.21 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.1 m-30 -96.66 -19.82 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.504 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 21.3 t0 74.72 89.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 4.4 m -161.44 -44.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.42 40.6 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -105.51 122.7 41.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.3 31.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 7' ' ' THR . 51.7 mm-40 -74.41 -16.95 60.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.17 178.37 33.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -161.2 145.98 13.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE1' ' CD1' ' A' ' 97' ' ' ILE . 24.7 m-85 -101.76 42.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -100.35 130.09 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.595 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -72.7 -25.75 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -72.77 -51.36 19.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.03 -39.45 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 90' ' ' VAL . 27.1 mt -58.17 -47.45 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.52 -34.51 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -61.8 -52.31 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 43' ' ' TRP . 10.2 t -65.43 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.564 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 6.1 tttt -64.57 -50.75 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.94 -25.45 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 48' ' ' VAL . 69.4 mt -77.49 -52.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.4 m -66.21 -32.81 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 38.4 m-85 -94.91 36.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -88.03 -172.67 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.6 139.81 40.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.14 -175.07 20.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.66 14.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -73.95 -35.99 52.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.0 p -50.93 154.74 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 9.2 m-70 -120.66 99.02 47.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.81 20.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -87.48 -37.73 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.01 -16.77 32.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 15.8 mt-30 -48.91 -49.0 70.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.5 Cg_endo -74.97 -22.3 15.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.0 m-85 -77.78 -50.26 12.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 64' ' ' VAL . 10.6 tp -65.31 -36.14 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 26' ' ' LEU . 3.9 m -56.22 -50.68 70.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 19' ' ' ILE . 20.4 t -54.6 -43.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.531 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 37.9 m95 -54.84 -44.24 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.73 -42.14 91.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -63.27 -42.55 99.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' ILE . 3.5 mt -54.72 -54.39 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' HB ' ' CD2' ' A' ' 58' ' ' LEU . 99.3 t -58.25 -58.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.0 mt-30 -37.99 -46.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' SER . 23.0 m-80 -119.97 51.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.6 p -36.56 117.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.608 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -74.95 172.89 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.59 13.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.616 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.4 p-90 -80.09 -1.87 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.616 HG13 ' CE3' ' A' ' 96' ' ' TRP . 19.3 mt -114.74 -62.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.13 126.65 41.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.77 -58.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.07 98.02 0.84 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.29 39.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 t 65.0 77.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.51 78.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.132 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.52 90.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.44 152.22 35.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.971 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -113.68 122.48 5.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.6 m 45.56 74.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.33 141.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.942 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.45 129.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 1.7 p -104.7 161.95 21.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -52.93 -48.32 67.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 -35.86 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 7' ' ' THR . 12.9 mt -68.35 -36.56 79.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -76.57 -54.29 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 3.5 mm? -54.03 -36.75 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -62.84 -41.4 99.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.522 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 42.7 m-70 -104.41 42.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 39.2 t-105 -50.67 -36.92 38.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -46.6 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.45 88.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.483 HG21 ' CH2' ' A' ' 35' ' ' TRP . 4.5 mm -61.18 -36.99 76.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 24.1 mtp85 -71.32 -31.08 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -46.05 77.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -59.63 -30.77 68.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.11 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.58 -44.26 91.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.66 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 m 67.19 45.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.43 153.53 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.59 134.83 54.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.576 HG21 ' CE1' ' A' ' 82' ' ' TYR . 16.9 pt -140.1 154.9 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -109.08 166.9 10.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 2.4 ttmt -91.33 -15.04 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -79.28 -50.15 5.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.04 -37.07 2.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.641 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 19.0 t-105 -49.56 -44.28 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.64 -47.11 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.2 m -54.82 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 79' ' ' GLN . 9.0 m-85 -57.05 -22.47 39.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 t -113.01 14.19 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -98.97 -49.32 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -161.83 38.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.651 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.4 tp10 -118.09 -51.08 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.693 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 38.2 m0 -78.26 -42.56 2.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 3.08 5.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 41' ' ' SER . 11.0 p -120.64 21.78 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.2 m-30 -93.18 -9.96 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.8 73.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.8 m -151.32 -59.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 153.25 41.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -105.1 123.53 39.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.16 31.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.42 2.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.457 ' CG ' HG21 ' A' ' 7' ' ' THR . 14.3 mm-40 -73.94 -13.14 60.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.63 177.68 38.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -160.77 147.44 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 31.0 m-85 -103.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -101.48 124.05 46.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.621 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -67.2 -25.73 66.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.8 m -74.52 -51.09 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.67 -41.35 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.8 mt -56.66 -48.44 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.1 m-85 -57.53 -32.96 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.51 -52.25 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 43' ' ' TRP . 14.4 t -64.63 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 2.6 ttmt -64.84 -50.25 67.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.25 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.41 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 62.0 mt -75.7 -52.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.464 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.5 m -65.87 -35.55 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 31.6 m-85 -89.63 24.88 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 67' ' ' ILE . 12.0 pt20 -81.45 -171.18 3.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.27 167.05 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.37 -177.65 54.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.08 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -71.52 -30.26 66.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 p -54.26 160.86 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 0.758 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.604 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 5.9 m-70 -128.71 96.51 29.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.1 17.63 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.617 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p30 -89.25 -36.23 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.486 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -88.23 -16.52 33.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.9 mt-30 -48.27 -48.64 64.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -21.68 15.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 7.2 m-85 -79.87 -49.77 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 84' ' ' THR . 9.9 tp -66.53 -40.46 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' ILE . 3.5 m -51.9 -52.14 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.1 t -55.67 -44.35 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.641 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.8 m95 -54.54 -39.68 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -68.98 -39.58 79.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -64.98 -38.06 89.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 mt -54.97 -54.46 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.481 ' HB ' ' CD2' ' A' ' 58' ' ' LEU . 59.1 t -60.54 -57.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' VAL . 14.8 mt-30 -36.96 -54.79 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 19.2 m-80 -112.34 59.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ASN . 94.5 p -35.48 116.87 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.01 166.84 28.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -23.91 13.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 97' ' ' ILE . 67.0 p-90 -80.66 -6.34 58.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.0 mt -106.13 -61.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 97' ' ' ILE . 5.9 mttt -144.61 114.78 7.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.7 p -90.8 92.16 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.34 161.35 29.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' SER . 18.4 Cg_endo -74.93 64.57 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.9 m 39.66 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 m -55.08 -58.63 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t 59.95 106.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.79 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.5 147.4 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.67 -114.6 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p -160.81 76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.022 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 p -149.13 157.84 43.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 124.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 1.1 p -98.98 163.05 19.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 13' ' ' LEU . 2.3 mt -52.53 -47.7 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -64.78 -40.12 94.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.0 mt -65.7 -52.39 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -59.47 -53.11 61.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 9' ' ' LEU . 7.7 mt -57.59 -41.54 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.86 -28.37 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.532 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.4 m-70 -117.95 38.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 41.1 t-105 -47.92 -36.84 13.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -53.92 -41.44 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.93 -42.55 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 19' ' ' ILE . 3.5 mm -64.91 -37.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 10.6 mtm180 -71.04 -29.11 64.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -43.19 61.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -61.77 -28.98 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -39.34 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.17 96.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -30.75 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.3 mt -87.05 -1.97 58.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m 62.23 50.58 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -144.88 148.38 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 138.04 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.576 HG22 ' CD1' ' A' ' 82' ' ' TYR . 8.2 pt -143.06 171.97 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -128.69 167.23 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' CE ' ' HB2' ' A' ' 16' ' ' TRP . 6.2 tttt -87.14 -38.92 15.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -55.89 -50.93 58.59 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.02 -42.64 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.65 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.4 t-105 -48.31 -36.98 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -76.69 -46.27 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -54.62 -52.69 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 14.2 m-85 -57.58 -23.88 53.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 t -111.03 14.24 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.24 -50.36 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.441 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.2 OUTLIER -161.55 40.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.6 tp10 -121.75 -49.03 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.7 m0 -77.08 -45.17 2.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.01 1.59 7.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 41' ' ' SER . 2.3 p -116.03 21.02 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.8 m-30 -100.68 -5.8 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 9.7 t0 63.52 84.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 23.9 m -158.5 -46.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.54 42.4 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.544 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 18.2 t-105 -104.8 129.51 24.77 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.544 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.0 164.81 32.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.1 pt-20 -78.78 -12.8 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 95.76 174.49 36.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 8.1 t -157.2 138.51 13.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE1' HD12 ' A' ' 97' ' ' ILE . 41.2 m-85 -90.89 41.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -106.08 102.63 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 11.3 tp -45.55 -38.96 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -54.16 -53.45 53.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.15 -35.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 58' ' ' LEU . 41.5 mt -62.77 -51.82 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -53.15 -30.87 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.47 -52.85 50.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 43' ' ' TRP . 4.0 t -71.26 -35.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 22.7 ttmt -58.86 -58.33 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' GLN . . . -52.06 -36.51 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.441 ' CD1' HG13 ' A' ' 48' ' ' VAL . 25.0 mt -60.71 -53.13 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.516 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 m -70.22 -34.71 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 22.5 m-85 -88.56 11.91 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ALA . 5.1 pt20 -63.25 -171.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -104.04 165.71 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.33 -173.91 55.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.505 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -71.07 -30.37 67.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -57.19 149.13 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.0 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 4.5 m-70 -116.98 96.71 49.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.569 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -5.81 17.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.665 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 81.3 m-20 -83.48 -39.42 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 55.7 mt-30 -88.18 -16.51 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 10.7 mt-30 -48.48 -48.48 67.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -21.14 16.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.665 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 6.1 m-85 -80.19 -49.42 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -67.82 -34.87 70.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.1 m -53.35 -44.33 68.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 19' ' ' ILE . 43.3 t -62.69 -41.12 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.65 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 24.3 m95 -55.49 -52.85 62.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.2 -33.17 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.61 -32.72 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.12 -54.54 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.0 m -59.05 -45.77 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -54.59 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.7 m-80 -95.28 51.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' ASN . 66.2 p -38.96 110.72 0.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 172.54 16.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.24 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 68.2 p-90 -79.52 -1.44 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.607 HG13 ' CE3' ' A' ' 96' ' ' TRP . 45.8 mt -117.77 -63.21 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.21 123.76 5.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.0 t -163.75 83.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.65 158.72 28.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -79.1 168.38 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t 64.26 150.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.1 m -117.92 171.03 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 164.39 16.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.37 159.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.966 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 44.75 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.59 125.4 5.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 3.1 p -102.26 162.52 20.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.97 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.8 tp -59.84 -44.33 94.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 t -63.17 -47.42 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 7' ' ' THR . 8.1 mt -59.97 -50.37 74.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p -54.74 -51.9 64.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.27 -42.58 98.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.57 -18.58 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.437 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 22.5 m-70 -125.39 34.2 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 38.5 t-105 -47.86 -37.76 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -53.72 -45.37 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.75 -47.26 72.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.465 ' CG2' HG13 ' A' ' 85' ' ' VAL . 5.2 mm -59.92 -35.54 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 33.4 mtm180 -71.39 -32.2 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -67.52 -47.72 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -55.61 -40.11 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -45.81 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.53 -26.59 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.7 -13.22 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 m 71.29 46.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -139.14 152.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.33 137.79 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.8 pt -141.86 158.22 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.62 167.13 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.8 ttpp -89.02 -36.85 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -57.02 -50.07 66.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.7 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 25.6 t-105 -49.57 -39.42 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -77.08 -49.2 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -55.18 -46.65 75.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 m-85 -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 39' ' ' CYS . 53.6 t -94.07 10.67 32.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.41 -63.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.33 37.09 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -116.03 -51.31 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 28.8 m0 -75.36 -44.31 4.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.99 1.6 7.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 41' ' ' SER . 12.5 p -112.81 14.1 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.9 m-30 -93.39 6.57 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 51.66 45.68 27.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.485 HG13 ' CB ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -115.58 -21.94 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 4.48 20.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 21.1 t-105 -67.81 128.76 93.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 166.08 29.94 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -73.38 -32.22 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 118.72 170.77 14.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 14.7 t -161.78 148.06 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 97' ' ' ILE . 45.1 m-85 -104.02 36.1 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -92.79 109.98 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.446 HD13 ' CG1' ' A' ' 90' ' ' VAL . 1.2 tp -49.02 -40.11 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.7 m -56.49 -50.3 72.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.93 -39.07 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -61.57 -53.36 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.431 ' CE1' HD22 ' A' ' 58' ' ' LEU . 2.4 m-85 -53.75 -41.23 66.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 14.8 mm-40 -58.52 -52.75 64.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 43' ' ' TRP . 37.3 t -69.61 -35.28 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' HG21 ' A' ' 68' ' ' VAL . 4.0 tttt -61.96 -46.55 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.31 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.556 HG22 ' CE2' ' A' ' 46' ' ' PHE . 85.6 mt -76.46 -39.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.546 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 2.1 m -81.42 -26.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.45 ' CD1' HG22 ' A' ' 68' ' ' VAL . 22.7 m-85 -100.95 33.05 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.508 ' HB2' ' CA ' ' A' ' 75' ' ' SER . 12.6 mt-30 -65.2 -179.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -117.38 21.44 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.88 7.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.55 14.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.64 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.28 -37.88 19.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.508 ' CA ' ' HB2' ' A' ' 70' ' ' GLN . 19.3 p -47.67 159.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 22.1 m-70 -132.31 102.68 14.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.611 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -89.58 -42.33 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 41.2 mt-30 -88.29 -16.76 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.6 mt-30 -48.68 -49.36 66.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.95 -22.11 15.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.5 m-85 -78.33 -49.8 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 68' ' ' VAL . 5.7 tp -65.63 -38.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 m -47.23 -49.87 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 19' ' ' ILE . 84.7 t -62.84 -42.41 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.7 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 33.3 m95 -53.9 -45.96 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -48.23 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.66 -38.8 82.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -55.02 -52.49 63.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.446 ' CG1' HD13 ' A' ' 58' ' ' LEU . 89.9 t -53.86 -56.23 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -46.12 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -91.39 64.11 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.7 p -49.19 114.09 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.602 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 166.39 29.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -23.8 13.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.614 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.3 p-90 -80.01 -8.15 59.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.039 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.614 HG13 ' CE3' ' A' ' 96' ' ' TRP . 23.5 mt -108.32 -67.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -136.48 123.51 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.61 165.18 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 52.54 71.48 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 79.12 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 p -84.87 151.11 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t 62.06 143.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.0 m -156.02 166.46 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -168.06 169.83 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.58 145.16 8.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -128.33 70.27 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -170.38 150.29 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.72 122.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.456 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 2.7 p -104.44 162.88 18.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.02 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.11 -48.5 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -63.33 -44.7 94.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 7' ' ' THR . 12.1 mt -56.58 -47.6 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 2.3 p -63.64 -53.14 56.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 35' ' ' TRP . 3.7 mm? -58.78 -36.57 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.493 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 64.7 m-70 -117.39 39.89 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 40.3 t-105 -47.32 -36.92 10.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.7 m -53.81 -40.13 66.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -71.16 -44.8 64.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.556 HG23 ' CH2' ' A' ' 35' ' ' TRP . 4.7 mm -61.26 -36.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.7 mtm105 -70.31 -30.88 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -39.54 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . -68.49 -41.97 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -47.17 82.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -34.83 71.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.0 mt -82.38 -0.4 45.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.8 t 54.72 47.1 23.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 13.1 m -140.58 157.79 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.84 138.83 53.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.588 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.9 pt -141.26 171.98 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -124.17 166.8 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 6.9 ttpp -92.09 -12.76 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.503 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.95 -50.56 4.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 -38.33 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.654 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.6 t-105 -49.04 -47.21 44.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -49.17 56.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -53.98 -52.82 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 12.7 m-85 -55.91 -30.05 61.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.83 14.25 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.324 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.18 -59.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.4 OUTLIER -151.92 35.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.6 tp10 -115.79 -50.08 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -76.57 -43.86 3.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.05 1.75 7.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 41' ' ' SER . 32.7 p -115.79 21.22 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.1 m-30 -100.59 -2.57 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.93 81.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.86 -45.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.16 39.48 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 12.8 t-105 -105.39 123.57 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 167.31 27.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.18 13.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 73.6 mm-40 -83.93 -19.85 33.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.12 -178.89 32.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -166.27 146.04 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 52.3 m-85 -100.37 30.65 3.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -91.79 106.21 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.71 -37.85 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 m -58.1 -51.12 71.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.65 -35.11 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 82.3 mt -65.36 -53.36 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.86 -24.98 17.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.04 -52.82 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG11 ' CG ' ' A' ' 43' ' ' TRP . 20.7 t -69.33 -38.63 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' O ' HG21 ' A' ' 68' ' ' VAL . 4.9 tttt -63.9 -49.97 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.04 33.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.29 -47.72 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.59 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.1 m -70.49 -34.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -94.81 38.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 74' ' ' GLY . 4.6 pt20 -92.86 165.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -104.97 13.19 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.56 -164.8 25.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -100.35 28.8 14.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 p -86.24 143.15 28.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 2.2 m-70 -137.71 93.94 12.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.551 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.79 17.22 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.636 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 m-20 -88.87 -38.99 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 10.8 mt-30 -87.99 -16.7 33.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.0 mt-30 -49.31 -49.0 73.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -75.04 -24.65 12.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.3 m-85 -73.02 -49.55 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.524 HD13 ' CH2' ' A' ' 43' ' ' TRP . 7.2 tp -68.81 -35.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.446 ' N ' HG23 ' A' ' 83' ' ' ILE . 8.1 m -50.17 -45.78 53.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.15 -43.38 98.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.654 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 30.4 m95 -55.22 -52.34 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.22 -34.9 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -71.93 -37.63 69.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -45.0 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 68.0 t -62.92 -53.48 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -54.04 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -90.65 66.79 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 p -50.47 115.9 6.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.01 165.48 31.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -23.71 13.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 97' ' ' ILE . 26.3 p-90 -80.48 -8.07 59.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt -104.6 -59.98 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 97' ' ' ILE . 1.7 mmtt -135.85 134.68 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 p -115.42 161.28 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.01 122.21 7.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 62.76 5.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -79.88 106.31 11.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 94.06 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.0 m 54.51 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.98 -60.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.83 -121.83 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.3 161.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 110.03 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -48.37 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.21 122.78 22.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 35.6 p -100.61 161.18 24.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.384 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.98 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.4 tp -56.33 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 -27.31 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.3 mt -74.0 -37.51 64.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 31.3 p -73.23 -54.56 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 4.1 mm? -54.74 -37.34 65.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.18 -26.35 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.52 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.3 m-70 -121.51 43.13 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.7 t-105 -53.34 -37.98 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -53.53 -44.77 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 14.6 tp10 -66.65 -41.23 88.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG21 ' CG1' ' A' ' 85' ' ' VAL . 18.8 mm -66.39 -34.16 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -71.26 -27.02 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -47.07 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 8.9 mmt180 -52.12 -39.86 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' CA ' HG23 ' A' ' 28' ' ' VAL . . . -70.76 -34.25 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -45.64 81.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.71 -32.29 73.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 84' ' ' THR . 76.3 mt -83.18 -19.02 37.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.6 t 79.8 50.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG23 ' CA ' ' A' ' 23' ' ' ALA . 2.3 m -140.37 156.16 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.15 140.07 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.594 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 16.6 pt -143.7 168.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.7 mtmt -117.02 166.62 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 tttt -93.64 -12.67 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.69 -49.76 5.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -39.47 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 22.3 t-105 -48.82 -39.47 25.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ALA . 1.1 ttt180 -77.82 -49.35 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m -54.77 -51.67 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.2 m-85 -54.65 -31.95 58.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.07 14.09 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.21 -47.44 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.52 37.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.8 tp10 -117.74 -48.34 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 25.4 m0 -75.23 -44.62 4.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 3.52 5.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.8 p -117.75 21.14 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 6.6 m-30 -100.62 -4.8 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 4.3 m-20 59.88 83.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 19.3 m -157.63 -45.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.65 41.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 42.3 t-105 -105.16 124.34 36.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.5 26.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.99 2.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -76.34 -24.51 54.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 106.98 174.74 22.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -156.01 149.22 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 25.2 m-85 -107.93 39.37 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -97.49 107.08 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -45.63 -43.63 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -55.98 -53.41 57.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.51 -42.54 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.432 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 50.7 mt -55.34 -38.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.86 -25.81 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -71.16 -51.29 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 43' ' ' TRP . 20.8 t -74.42 -36.97 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' PHE . 4.7 tttt -61.5 -47.14 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.08 -24.37 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.96 -38.9 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.61 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.0 OUTLIER -79.31 -29.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' LYS . 15.5 m-85 -99.6 26.7 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.521 ' HB2' ' CA ' ' A' ' 75' ' ' SER . 61.1 mt-30 -50.65 -178.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -119.58 19.84 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.7 -162.68 9.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.61 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.8 -36.81 21.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.521 ' CA ' ' HB2' ' A' ' 70' ' ' GLN . 94.5 p -42.29 164.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.61 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 9.9 m-70 -131.83 100.7 15.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.16 16.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -90.73 -39.99 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -88.05 -16.82 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.1 mt-30 -49.0 -49.11 70.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.67 15.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.2 m-85 -78.92 -49.07 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' HG22 ' A' ' 68' ' ' VAL . 6.7 tp -66.09 -37.32 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.453 HG21 ' CD1' ' A' ' 26' ' ' LEU . 4.7 m -50.0 -44.82 51.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 19' ' ' ILE . 53.1 t -64.26 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 47.9 m95 -57.85 -46.97 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -59.42 -36.47 75.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.34 -32.74 62.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.473 HD21 ' CH2' ' A' ' 96' ' ' TRP . 15.1 mt -61.16 -54.1 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.432 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 13.5 m -64.98 -49.51 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 12.5 mm-40 -49.48 -49.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 33.7 m-80 -113.46 60.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 57.9 p -37.44 115.17 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.535 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 166.36 29.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.73 12.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 54.3 p-90 -80.27 -8.41 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt -103.8 -62.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' N ' HG21 ' A' ' 97' ' ' ILE . 0.2 OUTLIER 39.77 65.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.52 130.88 11.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 157.53 89.31 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.74 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -146.89 138.59 24.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 m 61.9 83.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t 60.04 83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -94.6 93.72 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.79 66.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 p -102.6 145.88 28.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -142.17 78.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.73 -141.13 4.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 110.996 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.42 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 2.4 p -63.32 162.34 25.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.3 -47.89 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -48.94 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 7' ' ' THR . 12.8 mt -55.56 -45.13 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 15.9 p -62.7 -54.55 37.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 35' ' ' TRP . 2.8 mm? -56.88 -47.48 80.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.5 -23.5 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.472 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.5 m-70 -123.32 43.18 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.46 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 41.0 t-105 -54.22 -37.16 64.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -53.95 -41.78 68.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.4 tp10 -69.6 -39.45 77.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.529 HG21 ' CH2' ' A' ' 35' ' ' TRP . 15.6 mm -67.3 -35.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -71.6 -25.68 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -43.95 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.9 mmt180 -59.32 -31.57 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.06 -35.84 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.42 -46.34 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -71.4 -29.52 65.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.61 -0.97 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t 56.72 55.25 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 m -145.62 148.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -110.51 135.73 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 13.4 pt -141.71 163.16 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.61 165.74 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.8 tttm -93.77 -12.43 29.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.52 -49.99 5.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.567 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 13.0 t-105 -49.26 -39.87 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -49.04 26.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -55.75 -51.5 67.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 13.3 m-85 -56.5 -32.77 65.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.65 11.93 36.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.98 -66.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.3 OUTLIER -146.87 39.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 5.1 tp10 -115.82 -50.35 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 33.6 m0 -77.29 -43.97 2.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 41' ' ' SER . 16.6 p -113.23 21.33 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 7.4 m-30 -101.94 -11.37 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.96 78.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.97 -68.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.31 33.54 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -106.25 116.17 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -0.72 10.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -116.65 -9.42 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.29 167.28 41.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.472 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -152.44 148.98 28.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.417 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 26.4 m-85 -101.43 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -108.92 110.84 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.84 -28.91 58.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.9 m -63.48 -54.46 36.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 55' ' ' THR . 0.5 OUTLIER -68.66 -43.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 59.1 mt -53.94 -38.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -25.98 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.81 -52.17 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.507 HG12 ' CD1' ' A' ' 43' ' ' TRP . 3.5 t -64.35 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 2.5 ttmt -61.07 -53.09 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.08 -37.12 43.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.7 mt -63.1 -53.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 69' ' ' PHE . 1.2 m -67.79 -26.55 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -99.89 28.82 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.91 -172.45 3.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.17 142.7 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 -176.36 24.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.3 15.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -73.73 -30.53 61.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -58.13 166.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 9.5 m-70 -129.84 97.74 23.31 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -86.14 -40.13 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -87.6 -16.75 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.4 mt-30 -49.09 -49.55 68.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -22.72 14.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.1 m-85 -75.85 -50.23 15.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 65' ' ' LYS . 9.1 tp -66.95 -32.14 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 83' ' ' ILE . 2.1 m -53.29 -45.03 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' CG1' HG23 ' A' ' 19' ' ' ILE . 25.9 t -64.16 -43.32 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.567 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 44.3 m95 -53.19 -51.2 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -55.07 -37.02 66.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -73.27 -35.6 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 HD23 ' CH2' ' A' ' 96' ' ' TRP . 10.1 mt -58.51 -54.58 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 23.6 m -63.86 -47.92 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 14.6 mm-40 -47.98 -55.41 10.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' SER . 35.7 m-80 -107.68 59.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' ASN . 59.6 p -35.99 113.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.554 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.08 167.0 27.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.04 13.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 62.2 p-90 -81.01 -7.01 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt -105.89 -62.75 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -146.93 120.51 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.6 t -124.31 112.47 17.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.85 170.45 55.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.85 4.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.52 102.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -109.36 124.03 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.84 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.2 -59.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.35 -87.37 0.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.08 166.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -68.38 -59.53 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.73 126.68 13.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 2.9 p -100.61 160.58 26.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HG2' ' C ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.96 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -52.35 -48.5 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -41.99 90.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 7' ' ' THR . 11.2 mt -57.87 -48.14 80.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 39.0 p -63.3 -54.56 35.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 35' ' ' TRP . 3.9 mm? -54.38 -47.93 72.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -53.58 -25.49 17.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 29.2 m-70 -122.81 48.73 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CH2' ' O ' ' A' ' 31' ' ' LYS . 44.4 t-105 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -53.74 -48.79 69.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.0 tp10 -60.74 -43.94 97.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.571 HG23 ' CZ2' ' A' ' 35' ' ' TRP . 7.9 mm -64.43 -39.57 86.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 14.4 mtm180 -71.22 -28.25 64.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -49.36 46.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.7 mmt180 -55.7 -30.69 61.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' SER . . . -63.85 -40.34 96.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -41.06 87.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.17 -29.31 66.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 84' ' ' THR . 89.0 mt -93.31 -8.06 43.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.3 m 64.33 53.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.03 152.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.36 135.75 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.59 HG23 ' CE1' ' A' ' 82' ' ' TYR . 12.5 pt -142.05 163.08 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -113.22 166.9 11.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.1 ttpm? -91.9 -13.78 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.97 -50.88 4.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.698 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 16.2 t-105 -48.15 -37.25 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.1 -47.01 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -54.68 -51.89 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 m-85 -57.49 -30.98 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.82 14.51 31.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.74 -64.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.432 ' O ' ' CG2' ' A' ' 45' ' ' THR . 13.7 t -147.34 38.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.7 tp10 -116.67 -49.24 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.659 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 31.6 m0 -77.3 -44.26 2.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.0 1.5 7.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.6 p -110.88 17.25 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.6 m-30 -98.55 -15.42 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 0.2 OUTLIER 70.1 95.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -169.08 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.94 33.15 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -105.1 112.62 65.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.11 9.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -116.19 -12.38 11.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.52 176.08 44.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.466 ' CG2' HG13 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -161.61 145.05 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 38.7 m-85 -95.61 44.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -104.91 101.7 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.6 tp -48.64 -27.24 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -62.56 -53.85 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -70.21 -41.24 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 72.1 mt -54.17 -48.63 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -54.74 -33.88 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 2.1 mm-40 -68.96 -52.18 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.498 HG11 ' CG ' ' A' ' 43' ' ' TRP . 3.6 t -65.27 -39.2 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 5.0 tttt -66.88 -51.21 58.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.01 -24.37 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.1 mt -78.72 -53.54 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 83' ' ' ILE . 1.2 m -65.57 -35.07 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 15.2 m-85 -94.05 31.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 8.3 pt20 -87.34 -170.08 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -108.93 147.59 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . 100.27 -177.9 28.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.37 16.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.57 -25.94 64.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 72' ' ' GLY . 3.4 p -65.67 157.3 30.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 4.1 m-70 -122.97 95.58 46.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.16 17.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 19.1 m-20 -85.03 -37.77 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 46.7 mt-30 -88.01 -16.03 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 19.4 mt-30 -47.93 -48.78 61.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.01 16.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.0 m-85 -79.98 -49.7 11.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.444 ' CG2' HG21 ' A' ' 68' ' ' VAL . 6.5 tp -69.24 -34.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 26' ' ' LEU . 1.3 m -53.56 -44.5 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 19' ' ' ILE . 46.2 t -63.02 -37.32 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.698 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 25.8 m95 -61.2 -48.72 80.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -33.99 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -29.03 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.93 -54.57 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.518 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 34.9 m -57.2 -45.27 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' HG23 ' A' ' 90' ' ' VAL . 11.7 mm-40 -55.77 -67.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -91.96 62.7 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -40.76 114.24 1.09 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.557 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -74.99 164.8 32.65 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.24 13.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 57.5 p-90 -80.79 -10.18 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 mt -100.07 -57.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 123.6 36.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m -104.51 -45.59 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.46 -93.98 2.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 m -145.17 137.15 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.6 99.96 12.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 t -138.95 143.2 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.04 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.51 157.62 46.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.048 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.3 -162.39 33.57 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -147.36 80.52 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.05 110.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.8 146.27 6.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -135.91 163.56 49.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 13' ' ' LEU . 20.7 tp -56.26 -45.95 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -67.89 -38.83 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.66 -47.95 70.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 p -58.24 -48.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD1' HD11 ' A' ' 9' ' ' LEU . 16.6 mt -66.69 -33.95 76.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.37 -34.87 79.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -113.53 41.34 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -51.53 -37.95 51.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -53.37 -40.05 64.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 26.8 tt0 -73.88 -41.55 62.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 ' CD1' HD23 ' A' ' 89' ' ' LEU . 19.8 mm -64.21 -33.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -71.45 -27.57 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -49.79 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 10.7 mtt-85 -52.26 -40.51 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -46.63 79.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -35.25 80.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.59 -17.87 52.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t 76.86 46.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.88 153.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.47 135.08 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.598 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 19.3 pt -139.38 164.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -120.08 166.77 12.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 2.7 tttm -91.43 -24.6 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -68.66 -49.8 40.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 -40.23 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.6 t-105 -49.18 -37.34 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -74.85 -49.05 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -56.13 -51.55 67.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 16.9 m-85 -59.39 -27.77 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -106.01 14.86 27.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.11 -60.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 45' ' ' THR . 0.5 OUTLIER -151.43 38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.3 tp10 -116.3 -51.07 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.5 m0 -76.97 -44.15 2.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.92 7.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 41' ' ' SER . 23.9 p -114.7 19.98 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-30 -103.45 -18.83 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.506 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 0.4 OUTLIER 72.88 95.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -168.4 -56.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 161.61 36.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -107.68 116.3 57.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.05 169.18 23.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -114.14 -7.6 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 88.22 169.25 44.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.477 ' CG2' HG13 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -155.83 146.22 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 19.9 m-85 -99.74 49.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -109.82 107.05 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 90' ' ' VAL . 5.3 tp -51.22 -27.21 8.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.7 m -62.43 -54.59 37.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG13 ' CG2' ' A' ' 55' ' ' THR . 0.8 OUTLIER -70.51 -40.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' CD1' ' CG1' ' A' ' 90' ' ' VAL . 50.2 mt -54.69 -49.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.1 -34.89 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -52.22 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.541 HG12 ' CG ' ' A' ' 43' ' ' TRP . 18.4 t -61.38 -40.52 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 5.1 tttt -63.96 -50.75 67.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.15 43.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' A' ' 46' ' ' PHE . 68.2 mt -76.9 -49.88 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.4 m -68.76 -34.8 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 29.5 m-85 -89.3 33.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' OE1' ' CA ' ' A' ' 74' ' ' GLY . 5.1 pt20 -83.7 164.84 19.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.01 19.64 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.59 -172.75 22.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.546 1.813 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.557 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -96.97 19.25 55.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 p -77.44 149.55 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.557 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 4.2 m-70 -136.26 94.28 14.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.551 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.55 19.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.6 OUTLIER -87.5 -36.36 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.19 -17.12 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 6.1 mt-30 -49.7 -48.75 76.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -23.09 14.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.3 m-85 -76.71 -50.08 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 43' ' ' TRP . 8.3 tp -63.32 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.1 m -59.08 -51.62 69.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 19' ' ' ILE . 94.6 t -54.7 -47.46 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.634 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 31.6 m95 -51.25 -50.09 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.029 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.11 -33.3 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.3 -32.31 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -62.81 -46.9 85.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 58' ' ' LEU . 24.6 m -65.06 -41.65 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.41 ' N ' HG21 ' A' ' 90' ' ' VAL . 17.1 mm-40 -64.52 -71.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.5 76.15 9.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p -53.58 111.17 2.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.1 Cg_endo -75.03 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.24 13.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 97' ' ' ILE . 10.3 p-90 -80.32 -8.11 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.653 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 9.8 mt -107.29 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.72 127.04 9.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.67 137.93 45.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.76 171.75 40.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.66 12.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -111.43 -57.92 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -150.34 93.52 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 148.13 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -62.34 -50.79 70.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.66 -113.68 0.58 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m 59.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.964 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.91 148.75 25.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.33 -137.73 2.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 HG23 ' CD ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER -70.27 166.02 38.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 110.39 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 -44.58 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 13' ' ' LEU . 22.4 tp -66.33 -39.65 89.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t -71.84 -39.26 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.58 -49.33 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -58.81 -38.68 79.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 47.0 mt -70.21 -43.86 69.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -57.23 -35.59 69.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.513 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 57.9 m-70 -110.81 40.18 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.581 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 41.8 t-105 -49.5 -38.32 29.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.034 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.7 m -53.29 -35.57 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 10.9 tt0 -76.38 -40.56 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 ' CD1' HD22 ' A' ' 89' ' ' LEU . 13.3 mm -65.96 -35.85 76.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.8 mtm180 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.16 -43.4 28.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -54.93 -32.25 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' CA ' HG21 ' A' ' 28' ' ' VAL . . . -76.12 -41.59 49.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -47.42 78.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -30.34 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.6 mt -86.76 0.77 54.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.0 m 58.48 45.43 16.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG21 ' CA ' ' A' ' 23' ' ' ALA . 31.1 m -137.64 157.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -120.08 141.29 49.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 82' ' ' TYR . 10.5 pt -144.12 166.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -121.97 168.02 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.1 ttpp -86.2 -41.17 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -54.32 -50.34 56.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.601 1.188 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.1 Cg_endo -75.02 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 15.3 t-105 -48.96 -39.87 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.51 -48.64 18.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.6 m -54.08 -52.21 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 9.2 m-85 -57.48 -31.11 65.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.84 16.79 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -101.24 -65.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' OG ' HG22 ' A' ' 45' ' ' THR . 9.1 t -141.82 32.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.618 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 tp10 -115.99 -51.02 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.701 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.2 m0 -77.06 -42.28 2.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.037 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.08 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.81 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.431 HG22 ' OG ' ' A' ' 41' ' ' SER . 33.2 p -120.68 22.53 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.6 m-30 -97.22 16.11 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 42.54 59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.54 -44.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 39.92 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 10.5 t-105 -103.92 125.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.56 3.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' CD ' HG23 ' A' ' 7' ' ' THR . 7.2 pt-20 -74.2 -20.28 60.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 100.06 -179.59 29.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -162.98 140.34 7.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 97' ' ' ILE . 38.5 m-85 -94.57 33.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -94.27 107.62 19.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.47 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.4 tp -47.58 -39.07 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.2 m -53.89 -52.88 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.4 t -68.42 -43.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 74.2 mt -56.84 -52.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -53.39 -36.73 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' CB ' HG23 ' A' ' 48' ' ' VAL . 61.8 mm-40 -65.07 -52.8 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 43' ' ' TRP . 15.6 t -66.77 -41.16 87.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 83' ' ' ILE . 4.9 tttt -62.48 -53.68 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.89 -35.32 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 46' ' ' PHE . 36.7 mt -61.66 -50.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 65' ' ' LYS . 1.5 m -72.39 -34.62 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 22.6 m-85 -89.79 25.44 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.65 -171.99 3.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -108.98 143.6 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.93 -174.98 21.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -77.7 -31.84 48.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -55.01 143.01 27.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 5.8 m-70 -113.31 98.86 47.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -6.08 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.638 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.4 m-20 -83.24 -40.01 20.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 9.4 mt-30 -88.1 -16.8 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt-30 -48.8 -48.59 70.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 6.5 m-85 -76.24 -49.77 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 65' ' ' LYS . 8.7 tp -70.04 -35.67 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 80' ' ' GLN . 2.7 m -51.31 -42.94 61.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.28 -37.89 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 18.9 m95 -59.12 -48.69 80.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -33.96 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.76 -38.26 70.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -54.86 -43.89 73.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.9 t -65.01 -54.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -46.68 -71.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -90.6 85.29 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.0 p -62.98 111.75 5.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.582 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 168.0 25.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.602 ' CE3' HG13 ' A' ' 97' ' ' ILE . 41.3 p-90 -80.53 -5.55 56.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.605 HD13 ' CE1' ' A' ' 56' ' ' PHE . 16.5 mt -111.71 -72.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 41.01 66.3 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 p -43.93 147.64 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.41 163.92 29.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.77 20.85 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.748 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -174.79 163.44 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t 60.81 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.6 p -177.91 142.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -157.9 165.68 34.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.58 -178.33 17.65 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 m -85.03 165.64 17.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -42.72 118.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.57 127.0 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p -117.38 162.78 26.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.92 -42.39 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -70.75 -46.18 63.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.4 -42.06 81.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 8' ' ' PRO . 3.1 p -66.29 -54.38 25.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.99 -43.1 86.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.05 -19.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.479 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.5 m-70 -126.34 37.86 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.532 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 43.3 t-105 -48.35 -37.9 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -53.44 -41.86 66.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -69.9 -45.66 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.501 HG23 ' CH2' ' A' ' 35' ' ' TRP . 4.8 mm -61.67 -33.97 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -71.06 -32.16 68.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -44.03 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -56.9 -33.81 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' VAL . . . -64.91 -41.71 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.15 99.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.51 -35.62 73.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -80.65 -9.19 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m 65.96 42.41 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 4.6 m -140.83 152.35 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' ILE . 3.3 tp10 -112.36 140.89 46.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.623 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 18.8 pt -141.28 162.75 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -114.93 166.26 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 6.8 tttt -92.01 -13.51 30.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.61 -50.36 5.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -74.97 -38.3 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 16.3 t-105 -49.68 -38.9 34.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ALA . 6.1 ttp180 -76.59 -49.34 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -52.28 62.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CE1' ' NE2' ' A' ' 79' ' ' GLN . 11.1 m-85 -58.7 -29.34 66.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -104.62 16.27 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -100.05 -59.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.473 ' O ' ' CG2' ' A' ' 45' ' ' THR . 41.6 t -152.23 37.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 3.5 tp10 -117.06 -49.4 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.1 m0 -77.36 -43.65 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 108.038 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 3.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 41' ' ' SER . 6.1 p -111.85 12.76 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.1 m-30 -95.66 -4.08 44.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.506 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 1.0 OUTLIER 57.22 93.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 2.0 m -164.51 -71.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.404 ' H ' ' CG2' ' A' ' 48' ' ' VAL . . . 178.35 33.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 24.6 t-105 -106.41 114.23 62.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 171.41 18.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.73 8.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 7.6 mp0 -115.98 -11.12 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.466 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.36 176.11 44.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.594 ' CG2' HG12 ' A' ' 60' ' ' VAL . 13.2 t -160.78 157.72 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 40.2 m-85 -108.24 47.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.1 106.74 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD13 ' CG ' ' A' ' 87' ' ' GLN . 4.2 tp -52.37 -28.31 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -61.19 -53.08 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.594 HG12 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.71 -40.77 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' N ' HG11 ' A' ' 60' ' ' VAL . 46.9 mt -54.63 -49.58 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -34.23 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.29 -51.67 35.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.535 HG12 ' CG ' ' A' ' 43' ' ' TRP . 25.3 t -65.42 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 5.3 tttt -65.07 -50.46 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.75 33.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 46' ' ' PHE . 62.1 mt -75.36 -51.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 69' ' ' PHE . 1.5 m -68.88 -28.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 30.2 m-85 -97.95 28.15 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -82.7 -169.66 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -103.31 160.76 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.5 -173.72 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.0 13.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -70.41 -37.74 69.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 p -49.41 153.47 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.511 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 14.4 m-70 -122.27 100.27 42.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.8 20.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.9 t0 -87.67 -38.47 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.578 ' NE2' ' CE1' ' A' ' 38' ' ' PHE . 64.7 mt-30 -88.01 -16.79 32.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 13.0 mt-30 -48.74 -49.12 68.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.96 -23.22 14.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CE1' ' CG2' ' A' ' 30' ' ' ILE . 5.0 m-85 -76.61 -49.84 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' CG2' HG22 ' A' ' 68' ' ' VAL . 10.9 tp -66.77 -25.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -65.94 -51.06 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' CG1' HG22 ' A' ' 19' ' ' ILE . 98.4 t -54.73 -40.33 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.579 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 22.2 m95 -61.49 -37.21 82.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' CG ' HD13 ' A' ' 58' ' ' LEU . 2.6 tt0 -68.53 -37.31 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 9.1 t0 -74.76 -29.02 60.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.94 -53.24 49.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 91' ' ' GLN . 35.5 m -58.74 -43.62 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' N ' HG21 ' A' ' 90' ' ' VAL . 53.2 mt-30 -60.93 -65.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' SER . 51.6 m-80 -87.59 54.14 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 77.7 p -37.02 112.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.99 164.9 32.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -23.34 13.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.589 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 61.9 p-90 -80.41 -10.93 59.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt -99.33 -57.0 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.85 -170.78 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.04 -51.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.97 94.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -126.44 -57.79 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 m -137.06 161.08 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.957 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.01 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -167.37 162.65 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.92 164.85 14.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 m 62.56 153.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -58.19 161.72 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.53 126.84 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.443 HG21 ' CG ' ' A' ' 53' ' ' GLU . 9.9 p -109.49 162.0 21.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -49.67 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.451 1.764 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 12' ' ' THR . 24.6 tp -58.37 -41.47 84.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -66.36 -44.09 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 mt -61.35 -41.26 96.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 1.6 p -66.63 -50.57 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 32' ' ' LYS . 48.9 mt -59.03 -46.1 89.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.55 -31.23 56.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HD2' ' CE3' ' A' ' 96' ' ' TRP . 47.4 m-70 -115.69 38.28 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' NE ' ' A' ' 20' ' ' ARG . 43.4 t-105 -48.82 -37.73 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.58 -42.26 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.82 -45.56 67.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 19' ' ' ILE . 4.7 mm -61.82 -36.72 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.5 mtm180 -71.27 -28.56 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -49.37 54.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -54.14 -39.58 66.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' SER . . . -58.77 -42.53 89.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -45.84 89.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.3 -34.89 79.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.65 -15.63 56.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 t 74.69 43.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.056 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.6 m -137.25 158.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.96 136.37 54.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 82' ' ' TYR . 13.7 pt -140.92 168.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -121.0 166.62 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 13' ' ' LEU . 13.6 tttp -91.96 -21.74 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -71.49 -50.05 22.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -75.02 -38.83 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.437 1.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.0 t-105 -49.32 -39.36 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -77.3 -49.69 14.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -54.6 -52.28 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.5 m-85 -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.68 14.98 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.62 -47.33 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.95 38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.6 tp10 -119.31 -47.44 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 19.1 m0 -75.23 -44.33 4.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.5 5.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 p -115.48 21.44 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-30 -99.81 -18.65 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 8.0 t0 76.0 87.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 1.6 m -161.55 -44.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.81 40.73 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 20.7 t-105 -105.08 127.58 28.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 168.79 24.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.26 5.55 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CG ' HG21 ' A' ' 7' ' ' THR . 53.3 mm-40 -81.81 -25.54 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.06 175.52 22.8 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 ' CG2' HG11 ' A' ' 60' ' ' VAL . 15.1 t -155.99 145.23 20.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.628 ' CZ ' HD13 ' A' ' 97' ' ' ILE . 35.9 m-85 -97.73 47.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -112.8 106.88 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 90' ' ' VAL . 8.6 tp -45.8 -41.1 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -54.8 -48.36 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' A' ' 55' ' ' THR . 79.6 t -70.22 -33.6 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' HG11 ' A' ' 90' ' ' VAL . 58.8 mt -65.72 -52.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -25.55 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.99 -52.27 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG13 ' CG ' ' A' ' 43' ' ' TRP . 4.5 t -72.11 -37.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 3.8 ttmt -60.79 -53.31 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.43 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.77 -52.27 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.5 m -68.1 -35.48 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 80' ' ' GLN . 15.5 m-85 -84.76 8.5 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.82 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.59 147.94 35.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.04 -173.25 21.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.34 15.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.546 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.89 -20.66 64.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 p -65.3 145.85 55.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 4.4 m-70 -117.83 95.26 47.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -10.36 21.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t70 -82.2 -35.96 27.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' HG2' ' CD2' ' A' ' 38' ' ' PHE . 40.2 mt-30 -88.32 -17.1 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.61 ' OE1' ' CE2' ' A' ' 69' ' ' PHE . 9.3 mt-30 -49.04 -48.14 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -24.01 13.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 5.7 m-85 -75.66 -49.35 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 84' ' ' THR . 5.1 tp -70.11 -35.08 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.9 m -53.12 -42.28 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.44 ' CG1' HG22 ' A' ' 19' ' ' ILE . 39.0 t -64.71 -43.39 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.631 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 10.9 m95 -51.43 -49.54 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 90' ' ' VAL . 2.2 tm0? -54.0 -31.87 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.54 -29.0 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' CH2' ' A' ' 96' ' ' TRP . 0.5 OUTLIER -66.78 -52.52 43.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 58' ' ' LEU . 32.8 m -64.66 -33.2 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 90' ' ' VAL . 3.5 mm-40 -70.32 -68.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 71.2 m-20 -87.63 56.62 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.5 p -37.59 111.47 0.56 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.547 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -75.02 168.16 25.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -24.21 12.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.633 ' CE3' HG13 ' A' ' 97' ' ' ILE . 13.9 p-90 -80.11 -5.2 55.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.633 HG13 ' CE3' ' A' ' 96' ' ' TRP . 28.6 mt -113.32 -70.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 75.21 138.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 m -123.34 128.7 50.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -66.43 122.72 21.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 89.05 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.3 p -135.15 141.23 45.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -169.12 161.84 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -58.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 123.74 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.16 94.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t -131.02 -49.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.87 112.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.98 110.92 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.615 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.62 160.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.05 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 13' ' ' LEU . 8.9 tp -70.42 -36.62 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' ASP . 8.1 t -76.87 -48.15 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.615 ' CD2' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -53.07 -56.25 17.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 8' ' ' PRO . 41.5 p -51.94 -44.75 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 35' ' ' TRP . 4.2 mm? -68.78 -34.43 75.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' SER . 1.5 m-20 -78.03 -6.99 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -134.66 35.22 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.604 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.551 ' CH2' HG13 ' A' ' 30' ' ' ILE . 47.0 t-105 -48.43 -38.77 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.9 m -53.33 -44.1 68.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 34.0 tt0 -68.36 -45.87 71.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CH2' ' A' ' 35' ' ' TRP . 5.0 mm -60.43 -36.39 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtm105 -70.25 -30.14 67.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -47.3 69.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 7.9 mtt-85 -59.71 -35.38 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -34.87 71.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -67.46 -46.65 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.32 -30.22 70.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 84' ' ' THR . 87.4 mt -87.49 -12.76 45.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 67.85 56.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.8 m -144.35 145.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.21 138.44 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.585 HG21 ' CD1' ' A' ' 82' ' ' TYR . 10.8 pt -142.45 161.56 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.42 166.37 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' CD ' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.74 -17.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.504 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -75.43 -49.96 8.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 -38.53 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.618 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.9 t-105 -49.43 -46.64 47.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -70.25 -49.54 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -54.44 -51.98 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.6 m-85 -56.85 -28.79 62.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -105.44 13.65 29.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.34 -57.28 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -155.17 38.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.627 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -117.48 -50.09 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.661 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.0 m0 -76.76 -44.02 3.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.03 1.59 7.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 41' ' ' SER . 45.5 p -119.0 21.25 12.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.5 m-30 -97.48 -17.66 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 2.5 m-20 77.43 83.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 47' ' ' ASP . 6.9 m -159.4 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 143.79 44.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -103.98 126.13 32.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.98 164.09 34.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -72.81 -29.25 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 114.4 174.43 18.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -162.8 149.89 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.1 m-85 -110.86 36.16 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -93.2 109.37 20.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.3 tp -46.83 -44.35 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -54.35 -43.77 71.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.9 t -75.39 -39.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' A' ' 90' ' ' VAL . 58.3 mt -62.55 -53.63 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.48 -27.83 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.58 -52.46 21.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 43' ' ' TRP . 8.0 t -70.91 -39.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 68' ' ' VAL . 5.2 tttt -59.31 -48.94 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.87 64.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.51 HG21 ' CD2' ' A' ' 46' ' ' PHE . 65.7 mt -77.73 -40.52 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.57 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 1.1 m -78.23 -29.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.7 m-85 -96.7 33.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 74' ' ' GLY . 5.1 pt20 -86.55 171.33 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -112.55 19.42 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.57 -164.46 20.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.28 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -100.26 24.53 31.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 p -82.66 145.75 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.584 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 1.7 m-70 -142.34 92.84 7.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.6 18.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.623 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 t0 -86.16 -37.45 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.23 -17.68 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 9.5 mt-30 -49.66 -48.61 76.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.93 -23.88 13.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 4.3 m-85 -75.12 -50.44 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.22 -32.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.463 HG21 ' CD1' ' A' ' 26' ' ' LEU . 3.1 m -53.54 -45.82 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 19' ' ' ILE . 75.2 t -62.8 -41.66 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.618 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 27.2 m95 -56.4 -47.49 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.84 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -59.25 -36.53 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 96' ' ' TRP . 8.0 mt -58.21 -49.77 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 48.3 t -56.42 -45.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.58 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.2 m-80 -86.43 55.43 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 6.8 p -37.15 113.5 0.63 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.499 ' CD ' HD13 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -75.01 166.3 29.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.99 12.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.638 ' CE3' HG13 ' A' ' 97' ' ' ILE . 30.5 p-90 -80.24 -8.75 59.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 5.0 mt -104.65 -64.13 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -137.75 148.24 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.4 p -139.88 121.24 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.15 100.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 t -152.01 88.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -159.53 119.85 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.655 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.3 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.95 -46.26 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -54.77 -41.56 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -41.4 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' THR . 10.8 mt -62.81 -38.55 91.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.4 p -72.52 -54.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD22 ' HG3' ' A' ' 32' ' ' LYS . 57.2 mt -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.98 -38.52 91.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -107.1 39.03 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.504 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.8 t-105 -47.68 -37.36 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -54.09 -41.99 68.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -68.86 -42.39 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 19' ' ' ILE . 2.3 mm -62.02 -37.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 30.1 mtm105 -71.25 -31.8 67.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -45.85 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -60.5 -29.97 69.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -72.32 -40.58 67.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.18 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.28 -28.02 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.89 -12.6 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t 72.9 44.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.0 m -137.59 160.17 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 141.16 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.991 HG22 ' CE1' ' A' ' 82' ' ' TYR . 6.2 pt -144.31 162.67 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -113.06 166.09 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -92.69 -13.09 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.75 -50.17 5.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -74.95 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 10.8 t-105 -49.23 -38.9 28.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.3 m -54.82 -52.24 63.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 10.7 m-85 -58.36 -29.26 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.93 14.5 31.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.47 -60.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -152.27 36.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.3 tp10 -115.73 -50.64 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.2 m0 -75.91 -43.79 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 1.75 7.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 41' ' ' SER . 71.7 p -118.92 16.09 13.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.4 m-30 -91.7 -18.89 23.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.592 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.9 t70 78.27 84.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -159.94 -45.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.47 41.0 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.621 ' HE3' HG12 ' A' ' 60' ' ' VAL . 16.5 t-105 -104.45 125.5 33.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.01 163.18 35.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.65 16.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 6.3 mp0 -87.73 -25.7 23.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.2 172.67 21.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.435 HG21 HG11 ' A' ' 60' ' ' VAL . 14.3 t -163.14 142.44 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 37.8 m-85 -99.25 38.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -99.83 109.44 21.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.401 HD13 ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -46.72 -37.19 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -58.9 -51.52 69.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.621 HG12 ' HE3' ' A' ' 50' ' ' TRP . 86.6 t -68.82 -33.3 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG21 ' A' ' 90' ' ' VAL . 57.4 mt -66.63 -53.59 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.51 -25.96 40.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 67' ' ' ILE . 3.5 mm-40 -67.28 -52.23 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 t -67.72 -40.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 -35.37 78.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.71 55.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.3 mt -65.61 -41.74 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' A' ' 76' ' ' HIS . 5.9 t -60.21 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 26.8 m-85 -90.31 41.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' HB2' HG13 ' A' ' 68' ' ' VAL . 98.7 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.1 21.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.6 m-20 -89.3 -37.29 15.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 29.2 mt-30 -88.11 -17.35 31.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.2 mt-30 -49.16 -48.52 73.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.96 -23.14 14.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.991 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -77.14 -49.84 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' GLN . 10.9 tp -68.46 -29.77 45.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -59.61 -52.68 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.578 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -54.75 -45.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 21.4 m95 -53.23 -37.82 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.74 -41.63 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -37.22 86.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 86' ' ' TRP . 7.0 mt -56.47 -54.5 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 61' ' ' ILE . 85.4 t -50.7 -65.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -39.96 -67.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -90.07 71.76 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -55.19 114.62 7.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.45 13.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 66.2 p-90 -80.3 -10.54 59.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 11' ' ' LEU . 5.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.55 -48.8 68.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -64.56 -46.01 84.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 7' ' ' THR . 13.6 mt -55.68 -51.15 68.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -31.66 72.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.84 -42.73 60.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.54 -36.22 77.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -107.66 36.68 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CH2' HG13 ' A' ' 30' ' ' ILE . 38.8 t-105 -48.02 -36.38 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -54.82 -45.32 74.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.05 -41.05 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.643 HD12 HD11 ' A' ' 89' ' ' LEU . 6.3 mm -66.43 -35.79 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 40.7 mtm180 -71.59 -26.6 62.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -47.75 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -55.87 -31.23 62.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.01 -37.99 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -42.19 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -36.35 82.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.52 -18.64 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 t 78.0 50.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.651 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 5.9 m -142.7 154.81 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 139.73 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.964 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.1 pt -143.3 157.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 6.2 mmpt? -110.09 165.64 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 5.0 tttt -92.77 -11.53 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.7 -50.83 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.3 t-105 -49.67 -38.96 34.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -49.4 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -55.46 -48.35 74.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.4 m-85 -56.61 -40.69 75.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 t -89.01 8.96 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -89.98 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.49 40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 2.9 tp10 -117.9 -49.37 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.2 m0 -75.54 -44.36 4.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.1 Cg_endo -75.05 1.46 7.74 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 41' ' ' SER . 1.9 p -112.19 20.22 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CZ ' ' NE2' ' A' ' 76' ' ' HIS . 8.8 m-30 -101.35 -17.78 16.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 74.63 89.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' ASP . 6.7 m -160.84 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.31 41.07 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 60' ' ' VAL . 17.9 t-105 -104.44 126.51 31.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.01 163.43 35.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.57 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -75.77 -16.38 60.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.4 174.44 31.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.534 HG21 HG11 ' A' ' 60' ' ' VAL . 8.7 t -160.8 153.43 20.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.713 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.8 m-85 -110.27 41.31 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -104.36 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.4 -43.28 11.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 m -55.25 -50.1 70.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 50' ' ' TRP . 55.2 t -68.12 -32.21 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 90' ' ' VAL . 75.0 mt -68.98 -52.51 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.74 -27.8 30.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.7 mm-40 -64.3 -53.01 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.63 -39.04 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 9.4 tttt -58.1 -37.32 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.84 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -65.86 -42.53 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' HIS . 15.4 t -59.18 -51.21 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 24.3 m-85 -91.54 42.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.646 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 46.5 m-70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.81 16.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.619 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 26.3 t0 -82.68 -33.52 27.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.04 -17.34 31.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 11.7 mt-30 -49.44 -48.82 74.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.04 -24.0 13.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.964 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -74.56 -50.11 19.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.4 tp -65.69 -34.9 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -54.41 -51.26 65.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.574 HG11 HG23 ' A' ' 19' ' ' ILE . 85.9 t -57.68 -43.97 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.655 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 33.1 m95 -53.53 -44.91 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.34 -47.66 83.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.38 -40.41 74.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 HD12 ' A' ' 19' ' ' ILE . 6.5 mt -55.26 -54.47 43.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.799 HG21 HD12 ' A' ' 61' ' ' ILE . 75.0 t -51.48 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -43.96 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -92.47 65.82 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 p -49.09 117.58 6.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.57 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 165.02 32.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.52 13.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 58.7 p-90 -80.51 -9.38 59.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.713 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.733 HG21 ' OE1' ' A' ' 53' ' ' GLU . 40.2 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 13' ' ' LEU . 46.9 tp -53.12 -46.48 68.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -65.59 -45.9 81.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 8.9 mt -59.48 -45.1 92.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -63.36 -49.96 71.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.5 -46.74 87.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.79 -22.3 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -122.97 41.77 3.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 40.7 t-105 -51.31 -36.32 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -54.27 -46.26 72.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.46 -41.17 96.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.779 HD12 HD11 ' A' ' 89' ' ' LEU . 5.5 mm -66.89 -36.57 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.53 -28.08 63.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.5 m -74.09 -48.72 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -54.03 -33.47 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.18 -33.68 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -41.09 85.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -28.14 62.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 84' ' ' THR . 95.0 mt -88.44 -8.8 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m 65.6 51.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.612 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 6.5 m -144.57 151.39 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.72 143.64 44.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.95 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.4 pt -144.1 168.32 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -117.79 166.09 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE3' ' CD1' ' A' ' 16' ' ' TRP . 3.9 ttmt -93.49 -12.52 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.35 -50.12 5.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 29.4 t-105 -49.69 -39.36 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -77.51 -49.83 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.8 m -54.49 -50.66 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.9 m-85 -55.69 -33.83 64.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -100.03 12.78 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 108.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.58 -55.62 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -159.01 38.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 4.1 tp10 -116.4 -49.99 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.8 m0 -76.16 -44.52 3.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 41' ' ' SER . 5.5 p -110.53 19.64 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.5 m-30 -102.65 6.16 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.62 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 49' ' ' GLY . 11.7 m -151.68 -59.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 154.0 40.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 32.0 t-105 -105.58 125.55 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 165.09 31.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.04 2.76 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.733 ' OE1' HG21 ' A' ' 7' ' ' THR . 54.0 mm-40 -76.76 -21.98 54.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 105.17 174.71 24.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.5 t -157.49 140.71 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 23.1 m-85 -97.33 43.03 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.02 132.48 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.33 -25.35 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.0 m -74.39 -52.57 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.53 -36.23 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.821 HD12 HG21 ' A' ' 90' ' ' VAL . 25.7 mt -61.75 -45.25 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.4 m-85 -60.93 -33.33 72.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 67' ' ' ILE . 52.8 mt-10 -58.38 -52.16 66.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.9 t -68.14 -34.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -64.19 -36.89 85.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.68 55.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.1 mt -66.02 -41.0 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.3 t -60.93 -47.13 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 18.9 m-85 -96.04 48.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.662 ' HB2' HG13 ' A' ' 68' ' ' VAL . 80.0 m-70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.0 -17.1 19.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 3.4 m-20 -88.26 -35.95 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 49.1 mt-30 -88.29 -17.45 30.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt-30 -49.24 -48.31 74.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.0 -23.22 14.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.95 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.78 -49.05 16.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 83' ' ' ILE . 10.8 tp -67.94 -37.47 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 HD13 ' A' ' 26' ' ' LEU . 16.6 m -53.28 -50.88 63.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.709 HG11 HG23 ' A' ' 19' ' ' ILE . 76.7 t -54.48 -45.78 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.728 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.9 m95 -52.65 -44.1 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -59.85 -44.3 94.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.55 -38.44 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 19' ' ' ILE . 12.2 mt -56.86 -52.24 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 61' ' ' ILE . 98.3 t -64.72 -57.96 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' VAL . 3.1 mt-30 -37.87 -54.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' SER . 11.0 m-80 -112.47 63.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' ASN . 54.0 p -38.46 116.96 0.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.572 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.5 Cg_endo -74.92 166.4 29.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -24.45 12.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 97' ' ' ILE . 63.9 p-90 -80.19 -7.76 59.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.681 ' O ' HD12 ' A' ' 11' ' ' LEU . 14.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -46.29 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.883 HD22 HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -53.43 -47.49 69.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -65.41 -42.52 92.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 10.0 mt -60.33 -48.96 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -65.03 -54.58 28.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.883 HD11 HD22 ' A' ' 9' ' ' LEU . 11.4 mt -54.35 -28.74 44.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -76.22 -27.03 56.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.8 42.28 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CH2' HG13 ' A' ' 30' ' ' ILE . 46.8 t-105 -49.86 -34.54 20.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -46.02 75.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.85 -42.99 97.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.99 HG23 HG11 ' A' ' 85' ' ' VAL . 24.6 mm -62.33 -43.58 98.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -68.33 -26.19 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -49.18 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.458 HH21 HD23 ' A' ' 89' ' ' LEU . 8.9 mtt-85 -60.34 -37.17 79.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -68.22 -36.64 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -45.88 82.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -27.63 67.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 84' ' ' THR . 96.0 mt -88.16 -10.42 50.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 69.93 48.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG23 ' HB1' ' A' ' 23' ' ' ALA . 12.7 m -139.38 151.33 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -113.27 131.86 55.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.933 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.1 pt -136.86 156.93 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 mtmt -115.15 166.84 11.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -89.15 -32.6 17.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -61.32 -50.85 62.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.98 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.494 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.9 t-105 -48.97 -42.09 36.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -73.08 -48.99 31.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.8 m -54.7 -52.55 62.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 11.5 m-85 -57.64 -28.84 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.9 t -102.26 12.05 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.2 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.554 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -143.75 37.03 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.5 tp10 -115.15 -51.68 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 41.8 m0 -77.43 -43.31 2.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.04 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.554 HG21 ' O ' ' A' ' 41' ' ' SER . 38.8 p -116.81 21.67 13.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.451 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.9 m-30 -101.92 1.89 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 98.3 m-20 55.54 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 47' ' ' ASP . 14.1 m -157.76 -52.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 141.67 42.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.511 ' HE3' HG12 ' A' ' 60' ' ' VAL . 15.5 t-105 -105.21 125.59 33.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 163.32 35.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.21 2.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.3 mp0 -74.82 -12.75 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.87 176.06 36.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 60' ' ' VAL . 14.1 t -159.56 152.1 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 31.3 m-85 -109.29 39.69 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -105.35 109.79 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -45.62 -39.77 8.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -57.08 -51.38 69.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 55' ' ' THR . 98.6 t -67.9 -30.35 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 90' ' ' VAL . 73.8 mt -70.0 -53.55 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.81 -25.14 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt-10 -66.24 -52.51 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -68.48 -44.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 4.0 tttt -54.14 -36.95 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.36 -53.64 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -66.46 -43.83 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.715 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.7 t -57.54 -52.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 11.5 m-85 -87.85 41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.715 ' HB2' HG13 ' A' ' 68' ' ' VAL . 57.8 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.07 16.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -84.09 -36.59 22.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.572 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -88.12 -17.66 30.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.7 mt-30 -49.3 -48.77 73.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.1 Cg_endo -75.04 -26.96 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.933 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -69.9 -50.18 44.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.79 -33.79 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 26' ' ' LEU . 1.1 m -56.55 -46.78 80.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.99 HG11 HG23 ' A' ' 19' ' ' ILE . 17.2 t -54.98 -46.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.494 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 72.1 m95 -52.02 -49.87 62.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -55.08 -52.21 63.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.75 -42.01 78.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD11 HD12 ' A' ' 19' ' ' ILE . 6.7 mt -54.85 -54.26 44.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.836 HG21 HD12 ' A' ' 61' ' ' ILE . 89.6 t -50.26 -55.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -47.73 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -91.42 71.67 6.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 p -57.46 109.81 2.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.75 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.04 165.97 30.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.2 14.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.65 ' O ' HD22 ' A' ' 11' ' ' LEU . 66.5 p-90 -80.0 -9.65 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.761 HD11 HD22 ' A' ' 89' ' ' LEU . 18.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.673 ' O ' HD12 ' A' ' 11' ' ' LEU . 12.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.65 -46.4 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -66.9 -42.56 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 7' ' ' THR . 9.9 mt -60.36 -38.31 83.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -74.19 -48.62 27.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 36' ' ' ARG . 61.8 mt -61.83 -45.26 94.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.95 -43.14 66.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -102.67 38.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 38.8 t-105 -47.77 -37.95 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 m -53.46 -41.24 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 tt0 -71.14 -50.04 37.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.642 HG21 ' CH2' ' A' ' 35' ' ' TRP . 3.4 mm -55.9 -36.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtp85 -67.01 -33.9 76.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -69.69 -39.15 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -58.23 -32.92 68.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -73.79 -33.72 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -44.58 87.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -27.1 63.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.834 ' O ' HG13 ' A' ' 28' ' ' VAL . 24.7 mt -93.26 14.5 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t 41.91 50.46 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 26' ' ' LEU . 29.8 m -137.72 163.32 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -124.0 136.52 54.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.993 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.4 pt -140.7 173.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -129.55 166.95 18.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 8.6 tttt -91.55 -21.44 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -72.17 -50.5 16.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.05 -38.02 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CH2' HG21 ' A' ' 19' ' ' ILE . 17.1 t-105 -49.1 -39.27 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 1.4 ttt85 -77.52 -49.4 14.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.5 m -54.68 -52.75 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.8 m-85 -56.69 -30.51 63.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 t -102.38 13.64 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.68 -58.35 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -154.09 36.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.5 tp10 -116.27 -48.22 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 27.9 m0 -78.37 -43.82 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 107.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.466 HG21 ' O ' ' A' ' 41' ' ' SER . 68.6 p -120.15 16.66 12.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 1.7 m-30 -90.23 -3.41 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.655 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.4 m-20 61.84 82.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -159.76 -59.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.503 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 152.56 41.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 14.9 t-105 -105.46 123.67 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.03 165.04 32.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -25.37 12.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -85.69 -20.97 28.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 102.13 173.9 27.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HG11 ' A' ' 60' ' ' VAL . 14.0 t -160.82 140.37 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 41.8 m-85 -94.43 30.53 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.873 ' OD2' HG23 ' A' ' 60' ' ' VAL . 26.7 t0 -93.78 109.2 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tp -46.47 -40.66 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -56.72 -52.9 63.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.873 HG23 ' OD2' ' A' ' 57' ' ' ASP . 49.9 t -67.18 -30.25 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 90' ' ' VAL . 92.5 mt -69.74 -53.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.99 -26.39 36.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.0 mm-40 -62.72 -52.37 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.2 t -69.44 -40.25 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.18 -37.64 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.27 -53.24 60.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.2 mt -66.59 -45.38 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' HB2' ' A' ' 76' ' ' HIS . 11.7 t -56.1 -51.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 13.7 m-85 -89.78 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.743 ' HB2' HG13 ' A' ' 68' ' ' VAL . 4.1 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.69 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.616 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 32.0 m-20 -87.99 -39.99 14.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 11.9 mt-30 -87.99 -17.19 31.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.4 mt-30 -48.56 -48.69 67.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -74.99 -24.25 13.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.993 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.3 m-85 -75.33 -49.11 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 tp -71.0 -31.26 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -59.54 -51.77 68.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.577 HG11 HG23 ' A' ' 19' ' ' ILE . 24.2 t -54.86 -43.99 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.615 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 8.1 m95 -51.57 -48.81 63.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -55.12 -31.83 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.96 -40.51 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -54.74 -42.21 71.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 61' ' ' ILE . 98.7 t -68.54 -54.89 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -92.17 76.78 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 p -53.4 114.17 5.77 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.518 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.98 165.25 31.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.72 13.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 97' ' ' ILE . 20.3 p-90 -80.63 -8.87 59.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 11' ' ' LEU . 10.2 p . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . 18.2 Cg_endo -75.01 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.01 -47.32 71.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -69.87 -35.47 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 7' ' ' THR . 8.3 mt -64.54 -43.36 94.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 p -68.39 -52.32 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.932 HD11 HD22 ' A' ' 9' ' ' LEU . 4.9 mt -55.61 -47.25 76.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.5 -22.26 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -128.51 42.05 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.9 t-105 -49.14 -35.47 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -45.63 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.23 -45.95 78.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.683 HG23 HG11 ' A' ' 85' ' ' VAL . 3.3 mm -61.36 -37.52 77.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 12.9 mtm180 -71.48 -31.04 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -44.25 82.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -59.9 -32.83 71.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.07 -41.89 97.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -40.57 92.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -34.32 70.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.78 -10.12 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 68.62 41.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.867 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 14.4 m -139.5 151.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -111.91 141.34 45.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.974 HG22 ' CE1' ' A' ' 82' ' ' TYR . 17.1 pt -142.86 169.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -123.48 166.46 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -90.12 -22.72 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -70.66 -50.54 24.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.3 Cg_endo -75.01 -37.85 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.643 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.7 t-105 -49.43 -38.84 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -78.02 -48.15 16.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -54.76 -52.88 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 8.9 m-85 -57.06 -26.65 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.639 ' HB3' HD11 ' A' ' 9' ' ' LEU . 5.9 t -107.65 14.3 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.78 -53.92 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -157.52 34.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -116.28 -49.59 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CD1' HG11 ' A' ' 64' ' ' VAL . 24.9 m0 -75.83 -44.81 4.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 1.68 7.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' SER . 35.0 p -115.95 21.48 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.04 -7.5 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.746 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 63.23 88.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -164.29 -43.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.57 40.58 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.83 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.9 t-105 -105.08 123.18 40.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -74.98 166.3 29.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -35.61 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 16.6 mp0 -75.71 -11.43 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.96 177.53 42.22 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.605 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -160.46 149.73 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.749 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 19.9 m-85 -102.75 30.42 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HB3' HG23 ' A' ' 60' ' ' VAL . 55.0 t0 -97.46 109.28 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.94 -38.79 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 m -56.64 -44.36 81.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 50' ' ' TRP . 36.4 t -75.01 -33.33 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 HG21 ' A' ' 90' ' ' VAL . 60.2 mt -67.47 -53.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -53.75 -27.86 31.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.2 mt-10 -65.71 -52.9 47.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.687 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.8 t -67.27 -37.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -63.35 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.59 56.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 46' ' ' PHE . 3.1 mt -66.24 -41.85 89.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 76' ' ' HIS . 24.4 t -59.77 -53.54 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 44.2 m-85 -86.74 43.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.585 ' HB2' HG13 ' A' ' 68' ' ' VAL . 95.9 m-70 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.56 20.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 7.1 m-20 -89.89 -41.84 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 4.2 mp0 -88.45 -17.71 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 6.2 mt-30 -49.41 -48.4 75.1 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.05 -22.63 14.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.974 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -78.32 -49.75 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.0 tp -65.5 -33.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.2 m -58.97 -49.66 77.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.683 HG11 HG23 ' A' ' 19' ' ' ILE . 81.6 t -54.49 -46.85 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.643 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 17.5 m95 -53.18 -48.62 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -54.69 -34.13 61.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.15 -37.47 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -57.35 -39.02 75.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.788 HG21 HD12 ' A' ' 61' ' ' ILE . 48.6 t -72.22 -47.48 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.29 -66.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -93.57 81.98 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 115.71 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.53 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.05 164.94 32.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.66 13.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CE3' HG13 ' A' ' 97' ' ' ILE . 15.6 p-90 -80.42 -9.49 59.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.749 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 4.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.814 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.02 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.1 tp -56.61 -38.98 72.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -69.54 -51.31 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 7' ' ' THR . 6.5 mt -55.88 -53.08 61.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 8' ' ' PRO . 51.0 p -52.6 -54.05 38.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 32' ' ' LYS . 82.5 mt -57.14 -43.12 82.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.24 -23.15 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -121.91 38.2 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -48.79 -37.59 19.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -44.01 69.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.1 -43.6 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 89' ' ' LEU . 4.9 mm -63.31 -34.35 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 34.4 mtm180 -71.24 -28.67 64.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -48.41 62.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.548 HH21 HD23 ' A' ' 89' ' ' LEU . 8.6 mtt-85 -55.55 -34.02 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -67.63 -41.23 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.77 -46.66 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.59 -30.76 71.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.69 -0.58 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t 56.65 49.49 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.628 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.2 m -138.17 151.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.35 128.79 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.986 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.4 pt -132.67 165.12 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -122.95 167.19 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD22 ' A' ' 13' ' ' LEU . 5.0 ttmt -88.25 -37.3 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -56.95 -50.28 65.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 18.1 t-105 -49.55 -39.48 34.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 108.009 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -77.62 -50.22 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -54.79 -52.05 63.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.3 m-85 -55.04 -36.07 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 t -95.37 11.59 32.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -92.52 -60.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.533 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -153.83 38.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 tp10 -119.14 -45.17 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 16.9 m0 -78.31 -43.85 2.12 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 3.59 5.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 41' ' ' SER . 2.5 p -109.66 21.16 17.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 13.0 m-85 -94.08 -15.15 25.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.83 64.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' H ' ' A' ' 49' ' ' GLY . 5.2 m -137.57 -61.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 156.82 41.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.0 t-105 -104.87 126.45 31.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 164.41 33.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.7 -24.42 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.76 172.6 22.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -158.48 146.14 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 97' ' ' ILE . 29.3 m-85 -101.58 36.16 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -102.16 103.38 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 9.1 tp -45.34 -30.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.9 m -60.87 -49.58 76.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' HE3' ' A' ' 50' ' ' TRP . 97.3 t -69.85 -32.65 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 90' ' ' VAL . 21.1 mt -64.8 -53.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -26.07 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.1 mm-40 -68.88 -52.4 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 68' ' ' VAL . 19.2 t -70.87 -34.35 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.601 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 4.5 ttmt -65.9 -41.86 90.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.51 -51.19 60.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.4 mt -69.7 -48.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.904 HG13 ' HB2' ' A' ' 76' ' ' HIS . 39.7 t -52.54 -44.55 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 35.5 m-85 -93.78 36.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.423 ' OE1' HG23 ' A' ' 67' ' ' ILE . 18.4 pt20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.904 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.25 21.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.609 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -88.52 -39.05 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 9.9 mt-30 -88.14 -17.22 31.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.6 mt-30 -48.46 -48.75 66.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.98 -23.62 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.986 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.91 -49.75 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.1 tp -67.53 -34.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -58.44 -45.48 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 49.3 t -54.86 -47.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.646 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 22.2 m95 -52.08 -47.69 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 3.2 tm0? -56.99 -36.75 70.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -34.1 62.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 19' ' ' ILE . 9.1 mt -61.94 -54.73 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 56' ' ' PHE . 30.9 m -56.09 -41.75 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.11 -58.26 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.58 50.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -41.13 108.69 0.58 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.24 14.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.599 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.8 p-90 -80.35 -5.41 56.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.669 HD12 ' CD ' ' A' ' 94' ' ' PRO . 15.3 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.6 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 -45.53 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.721 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -52.87 -47.96 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -67.72 -40.06 84.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -62.12 -38.47 89.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 8' ' ' PRO . 14.7 p -74.0 -53.59 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.721 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.4 mm? -56.38 -34.13 66.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.29 -29.13 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -117.15 46.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 40.4 t-105 -55.23 -37.75 67.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 m -53.32 -39.65 64.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.78 -42.06 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.982 ' CD1' HD11 ' A' ' 89' ' ' LEU . 19.3 mm -65.43 -32.45 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -71.74 -25.75 62.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -47.79 14.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -47.98 -38.14 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.41 -48.35 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -46.55 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 84' ' ' THR . 61.2 mt -84.48 -5.78 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m 68.95 50.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.588 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.5 m -146.06 154.5 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.13 142.34 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.984 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.1 pt -143.07 162.74 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtpt -114.13 166.08 11.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 10.9 ttpp -93.3 -13.02 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.83 -50.08 5.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.1 t-105 -49.3 -40.29 34.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CD ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.69 -49.71 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 7.9 m -54.41 -51.7 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.0 m-85 -55.76 -31.83 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.21 12.76 36.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.01 -56.0 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.519 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -158.99 39.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.7 tp10 -116.7 -50.51 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.651 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 32.8 m0 -75.65 -44.27 4.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 107.964 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.6 7.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 41' ' ' SER . 7.0 p -112.94 16.21 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.1 m-30 -96.66 -19.82 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 48' ' ' VAL . 21.3 t0 74.72 89.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.927 HG11 HD11 ' A' ' 67' ' ' ILE . 4.4 m -161.44 -44.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.42 40.6 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -105.51 122.7 41.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.3 31.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 51.7 mm-40 -74.41 -16.95 60.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.17 178.37 33.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -161.2 145.98 13.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CE1' HD13 ' A' ' 97' ' ' ILE . 24.7 m-85 -101.76 42.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' HD12 ' A' ' 61' ' ' ILE . 44.6 t0 -100.35 130.09 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.8 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -72.7 -25.75 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -72.77 -51.36 19.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.03 -39.45 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.629 ' CD1' HG21 ' A' ' 90' ' ' VAL . 27.1 mt -58.17 -47.45 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.52 -34.51 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -61.8 -52.31 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.832 ' O ' HG13 ' A' ' 68' ' ' VAL . 10.2 t -65.43 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 6.1 tttt -64.57 -50.75 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.94 -25.45 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.927 HD11 HG11 ' A' ' 48' ' ' VAL . 69.4 mt -77.49 -52.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -66.21 -32.81 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 38.4 m-85 -94.91 36.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 m80 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.81 20.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -87.48 -37.73 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.01 -16.77 32.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 15.8 mt-30 -48.91 -49.0 70.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.5 Cg_endo -74.97 -22.3 15.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.984 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -77.78 -50.26 12.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.534 HG21 HG21 ' A' ' 68' ' ' VAL . 10.6 tp -65.31 -36.14 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.583 HG22 HD13 ' A' ' 26' ' ' LEU . 3.9 m -56.22 -50.68 70.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.745 HG11 HG23 ' A' ' 19' ' ' ILE . 20.4 t -54.6 -43.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.531 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 37.9 m95 -54.84 -44.24 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.507 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.7 tt0 -65.73 -42.14 91.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -63.27 -42.55 99.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 19' ' ' ILE . 3.5 mt -54.72 -54.39 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.8 ' HB ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -58.25 -58.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.0 mt-30 -37.99 -46.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' SER . 23.0 m-80 -119.97 51.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.6 p -36.56 117.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.649 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.95 172.89 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.59 13.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.616 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.4 p-90 -80.09 -1.87 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.899 HD13 ' CE1' ' A' ' 56' ' ' PHE . 19.3 mt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.669 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.631 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -52.93 -48.32 67.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 -35.86 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 7' ' ' THR . 12.9 mt -68.35 -36.56 79.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -76.57 -54.29 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.5 mm? -54.03 -36.75 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -62.84 -41.4 99.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -104.41 42.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 39.2 t-105 -50.67 -36.92 38.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -46.6 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.45 88.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 89' ' ' LEU . 4.5 mm -61.18 -36.99 76.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 24.1 mtp85 -71.32 -31.08 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -46.05 77.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.0 mtt180 -59.63 -30.77 68.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -69.24 -41.11 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.58 -44.26 91.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.66 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 m 67.19 45.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.567 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 26.9 m -136.43 153.53 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.59 134.83 54.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.054 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.9 pt -140.1 154.9 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -109.08 166.9 10.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 2.4 ttmt -91.33 -15.04 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -79.28 -50.15 5.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.04 -37.07 2.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.641 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 19.0 t-105 -49.56 -44.28 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.64 -47.11 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.2 m -54.82 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 79' ' ' GLN . 9.0 m-85 -57.05 -22.47 39.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 t -113.01 14.19 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -98.97 -49.32 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -161.83 38.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.651 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.4 tp10 -118.09 -51.08 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.693 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 38.2 m0 -78.26 -42.56 2.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 3.08 5.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 41' ' ' SER . 11.0 p -120.64 21.78 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.2 m-30 -93.18 -9.96 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.8 73.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 67' ' ' ILE . 6.8 m -151.32 -59.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.628 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 153.25 41.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -105.1 123.53 39.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.16 31.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.42 2.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.64 ' CD ' HG21 ' A' ' 7' ' ' THR . 14.3 mm-40 -73.94 -13.14 60.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.63 177.68 38.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -160.77 147.44 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 31.0 m-85 -103.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.833 ' OD2' HG23 ' A' ' 60' ' ' VAL . 66.7 t0 -101.48 124.05 46.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -67.2 -25.73 66.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.8 m -74.52 -51.09 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.833 HG23 ' OD2' ' A' ' 57' ' ' ASP . 25.2 t -67.67 -41.35 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 90' ' ' VAL . 50.8 mt -56.66 -48.44 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.1 m-85 -57.53 -32.96 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.51 -52.25 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 68' ' ' VAL . 14.4 t -64.63 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 2.6 ttmt -64.84 -50.25 67.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.25 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.705 HD11 HG11 ' A' ' 48' ' ' VAL . 62.0 mt -75.7 -52.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -65.87 -35.55 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 31.6 m-85 -89.63 24.88 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 67' ' ' ILE . 12.0 pt20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 m80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.1 17.63 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.617 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p30 -89.25 -36.23 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.486 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -88.23 -16.52 33.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.9 mt-30 -48.27 -48.64 64.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -21.68 15.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 1.054 ' CE1' HG22 ' A' ' 30' ' ' ILE . 7.2 m-85 -79.87 -49.77 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 68' ' ' VAL . 9.9 tp -66.53 -40.46 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -51.9 -52.14 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.519 HG11 HG23 ' A' ' 19' ' ' ILE . 43.1 t -55.67 -44.35 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.641 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.8 m95 -54.54 -39.68 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -68.98 -39.58 79.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -64.98 -38.06 89.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 19' ' ' ILE . 5.5 mt -54.97 -54.46 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.753 ' HB ' HD23 ' A' ' 58' ' ' LEU . 59.1 t -60.54 -57.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' VAL . 14.8 mt-30 -36.96 -54.79 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 19.2 m-80 -112.34 59.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ASN . 94.5 p -35.48 116.87 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.01 166.84 28.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -23.91 13.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 97' ' ' ILE . 67.0 p-90 -80.66 -6.34 58.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.668 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 13' ' ' LEU . 2.3 mt -52.53 -47.7 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -64.78 -40.12 94.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -65.7 -52.39 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -59.47 -53.11 61.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.811 HD11 HD22 ' A' ' 9' ' ' LEU . 7.7 mt -57.59 -41.54 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.86 -28.37 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -117.95 38.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 41.1 t-105 -47.92 -36.84 13.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -53.92 -41.44 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.93 -42.55 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.707 HG23 HG11 ' A' ' 85' ' ' VAL . 3.5 mm -64.91 -37.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 10.6 mtm180 -71.04 -29.11 64.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -43.19 61.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -61.77 -28.98 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -73.81 -39.34 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.17 96.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -30.75 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 HG22 ' A' ' 84' ' ' THR . 89.3 mt -87.05 -1.97 58.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m 62.23 50.58 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.586 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 17.5 m -144.88 148.38 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 138.04 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.2 pt -143.06 171.97 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -128.69 167.23 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' CE ' ' HB2' ' A' ' 16' ' ' TRP . 6.2 tttt -87.14 -38.92 15.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -55.89 -50.93 58.59 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.02 -42.64 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.65 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.4 t-105 -48.31 -36.98 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -76.69 -46.27 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -54.62 -52.69 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 14.2 m-85 -57.58 -23.88 53.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 9' ' ' LEU . 8.5 t -111.03 14.24 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.24 -50.36 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HG1' ' A' ' 45' ' ' THR . 0.2 OUTLIER -161.55 40.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.6 tp10 -121.75 -49.03 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.7 m0 -77.08 -45.17 2.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.01 1.59 7.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 41' ' ' SER . 2.3 p -116.03 21.02 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.678 ' CD2' HG21 ' A' ' 67' ' ' ILE . 3.8 m-30 -100.68 -5.8 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.608 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.7 t0 63.52 84.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 HD11 ' A' ' 67' ' ' ILE . 23.9 m -158.5 -46.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.54 42.4 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.2 t-105 -104.8 129.51 24.77 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.544 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.0 164.81 32.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.1 pt-20 -78.78 -12.8 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 95.76 174.49 36.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 8.1 t -157.2 138.51 13.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 97' ' ' ILE . 41.2 m-85 -90.89 41.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD2' HG23 ' A' ' 60' ' ' VAL . 49.8 t0 -106.08 102.63 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 11.3 tp -45.55 -38.96 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -54.16 -53.45 53.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 50' ' ' TRP . 88.6 t -67.15 -35.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 83' ' ' ILE . 41.5 mt -62.77 -51.82 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -30.87 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.47 -52.85 50.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.822 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.0 t -71.26 -35.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 22.7 ttmt -58.86 -58.33 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' GLN . . . -52.06 -36.51 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.835 HD11 HG11 ' A' ' 48' ' ' VAL . 25.0 mt -60.71 -53.13 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -70.22 -34.71 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 22.5 m-85 -88.56 11.91 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ALA . 5.1 pt20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -5.81 17.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.665 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 81.3 m-20 -83.48 -39.42 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 55.7 mt-30 -88.18 -16.51 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 10.7 mt-30 -48.48 -48.48 67.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -21.14 16.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.1 m-85 -80.19 -49.42 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.523 HD11 HG23 ' A' ' 61' ' ' ILE . 5.7 tp -67.82 -34.87 70.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.62 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.35 -44.33 68.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 19' ' ' ILE . 43.3 t -62.69 -41.12 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.65 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 24.3 m95 -55.49 -52.85 62.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.2 -33.17 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.61 -32.72 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 19' ' ' ILE . 12.7 mt -63.12 -54.54 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.0 m -59.05 -45.77 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 90' ' ' VAL . 13.0 mm-40 -54.59 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.7 m-80 -95.28 51.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' ASN . 66.2 p -38.96 110.72 0.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.653 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 172.54 16.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.24 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.724 ' CH2' HD11 ' A' ' 97' ' ' ILE . 68.2 p-90 -79.52 -1.44 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.724 HD11 ' CH2' ' A' ' 96' ' ' TRP . 45.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.97 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.8 tp -59.84 -44.33 94.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 t -63.17 -47.42 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 8.1 mt -59.97 -50.37 74.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' PRO . 4.7 p -54.74 -51.9 64.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.27 -42.58 98.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.57 -18.58 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -125.39 34.2 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 38.5 t-105 -47.86 -37.76 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -53.72 -45.37 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.75 -47.26 72.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 85' ' ' VAL . 5.2 mm -59.92 -35.54 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 33.4 mtm180 -71.39 -32.2 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -67.52 -47.72 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -55.61 -40.11 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -45.81 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.53 -26.59 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -87.7 -13.22 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 m 71.29 46.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 10.9 m -139.14 152.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.33 137.79 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.937 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.8 pt -141.86 158.22 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.62 167.13 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.8 ttpp -89.02 -36.85 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -57.02 -50.07 66.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.7 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 25.6 t-105 -49.57 -39.42 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -77.08 -49.2 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.6 m -55.18 -46.65 75.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 m-85 -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 39' ' ' CYS . 53.6 t -94.07 10.67 32.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -91.41 -63.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.598 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.33 37.09 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -116.03 -51.31 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 28.8 m0 -75.36 -44.31 4.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.99 1.6 7.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 41' ' ' SER . 12.5 p -112.81 14.1 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.9 m-30 -93.39 6.57 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 51.66 45.68 27.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -115.58 -21.94 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 4.48 20.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.634 ' HE3' HG12 ' A' ' 60' ' ' VAL . 21.1 t-105 -67.81 128.76 93.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 166.08 29.94 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -73.38 -32.22 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 118.72 170.77 14.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.422 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 14.7 t -161.78 148.06 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-85 -104.02 36.1 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -92.79 109.98 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' CG1' ' A' ' 90' ' ' VAL . 1.2 tp -49.02 -40.11 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.7 m -56.49 -50.3 72.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.634 HG12 ' HE3' ' A' ' 50' ' ' TRP . 39.1 t -69.93 -39.07 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 90' ' ' VAL . 33.3 mt -61.57 -53.36 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -53.75 -41.23 66.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' CB ' HG21 ' A' ' 48' ' ' VAL . 14.8 mm-40 -58.52 -52.75 64.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 68' ' ' VAL . 37.3 t -69.61 -35.28 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.0 tttt -61.96 -46.55 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.31 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 64' ' ' VAL . 85.6 mt -76.46 -39.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 64' ' ' VAL . 2.1 m -81.42 -26.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-85 -100.95 33.05 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 12.6 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' VAL . 8.2 m80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.611 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -89.58 -42.33 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 41.2 mt-30 -88.29 -16.76 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.3 mt-30 -48.68 -49.36 66.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.95 -22.11 15.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.937 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -78.33 -49.8 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 68' ' ' VAL . 5.7 tp -65.63 -38.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.539 HG22 HD13 ' A' ' 26' ' ' LEU . 1.8 m -47.23 -49.87 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 19' ' ' ILE . 84.7 t -62.84 -42.41 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.7 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 33.3 m95 -53.9 -45.96 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -48.23 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.66 -38.8 82.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.571 HD11 HD12 ' A' ' 19' ' ' ILE . 11.0 mt -55.02 -52.49 63.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG21 HD12 ' A' ' 61' ' ' ILE . 89.9 t -53.86 -56.23 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -46.12 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -91.39 64.11 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.7 p -49.19 114.09 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.761 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.03 166.39 29.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -23.8 13.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.614 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.3 p-90 -80.01 -8.15 59.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.039 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 94' ' ' PRO . 23.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.02 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.583 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.11 -48.5 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -63.33 -44.7 94.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 7' ' ' THR . 12.1 mt -56.58 -47.6 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 2.3 p -63.64 -53.14 56.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.738 HD12 ' HD2' ' A' ' 32' ' ' LYS . 3.7 mm? -58.78 -36.57 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -117.39 39.89 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 40.3 t-105 -47.32 -36.92 10.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.7 m -53.81 -40.13 66.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -71.16 -44.8 64.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.26 -36.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.7 mtm105 -70.31 -30.88 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -39.54 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -68.49 -41.97 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -47.17 82.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -34.83 71.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 85' ' ' VAL . 41.0 mt -82.38 -0.4 45.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.8 t 54.72 47.1 23.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.927 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 13.1 m -140.58 157.79 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.84 138.83 53.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.959 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.9 pt -141.26 171.98 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -124.17 166.8 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.738 ' HD2' HD12 ' A' ' 13' ' ' LEU . 6.9 ttpp -92.09 -12.76 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.503 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.95 -50.56 4.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 -38.33 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.654 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.6 t-105 -49.04 -47.21 44.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -49.17 56.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 3.5 m -53.98 -52.82 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 12.7 m-85 -55.91 -30.05 61.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.8 t -103.83 14.25 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.18 -59.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.574 ' O ' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -151.92 35.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.6 tp10 -115.79 -50.08 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -76.57 -43.86 3.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.05 1.75 7.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.574 HG21 ' O ' ' A' ' 41' ' ' SER . 32.7 p -115.79 21.22 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.1 m-30 -100.59 -2.57 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER 58.93 81.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 6.2 m -152.86 -45.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.16 39.48 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.8 t-105 -105.39 123.57 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 167.31 27.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.18 13.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 7' ' ' THR . 73.6 mm-40 -83.93 -19.85 33.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.12 -178.89 32.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -166.27 146.04 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 52.3 m-85 -100.37 30.65 3.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -91.79 106.21 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.71 -37.85 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 m -58.1 -51.12 71.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG12 ' HE3' ' A' ' 50' ' ' TRP . 90.3 t -69.65 -35.11 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 90' ' ' VAL . 82.3 mt -65.36 -53.36 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.86 -24.98 17.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.04 -52.82 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.853 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.7 t -69.33 -38.63 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 83' ' ' ILE . 4.9 tttt -63.9 -49.97 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.04 33.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 48' ' ' VAL . 67.1 mt -79.29 -47.72 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -70.49 -34.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -94.81 38.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.79 17.22 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.636 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 m-20 -88.87 -38.99 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 10.8 mt-30 -87.99 -16.7 33.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.0 mt-30 -49.31 -49.0 73.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -75.04 -24.65 12.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.959 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.3 m-85 -73.02 -49.55 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.583 HD11 HG23 ' A' ' 61' ' ' ILE . 7.2 tp -68.81 -35.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.1 m -50.17 -45.78 53.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 57.3 t -63.15 -43.38 98.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.654 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 30.4 m95 -55.22 -52.34 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.22 -34.9 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -71.93 -37.63 69.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.577 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.65 -45.0 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.865 HG21 HD12 ' A' ' 61' ' ' ILE . 68.0 t -62.92 -53.48 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -54.04 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -90.65 66.79 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 p -50.47 115.9 6.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.539 ' HG3' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.01 165.48 31.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -23.71 13.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 97' ' ' ILE . 26.3 p-90 -80.48 -8.07 59.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.678 ' O ' HD12 ' A' ' 11' ' ' LEU . 35.6 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 1.014 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.98 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 13' ' ' LEU . 56.4 tp -56.33 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 -27.31 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 7' ' ' THR . 11.3 mt -74.0 -37.51 64.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.014 HG23 ' O ' ' A' ' 8' ' ' PRO . 31.3 p -73.23 -54.56 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 9' ' ' LEU . 4.1 mm? -54.74 -37.34 65.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.18 -26.35 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -121.51 43.13 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.7 t-105 -53.34 -37.98 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -53.53 -44.77 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 14.6 tp10 -66.65 -41.23 88.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.851 HG23 HG11 ' A' ' 85' ' ' VAL . 18.8 mm -66.39 -34.16 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -71.26 -27.02 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -47.07 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 8.9 mmt180 -52.12 -39.86 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -70.76 -34.25 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -45.64 81.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.71 -32.29 73.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 84' ' ' THR . 76.3 mt -83.18 -19.02 37.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.6 t 79.8 50.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.609 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.3 m -140.37 156.16 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.15 140.07 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.6 pt -143.7 168.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.7 mtmt -117.02 166.62 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 tttt -93.64 -12.67 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.69 -49.76 5.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -39.47 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 22.3 t-105 -48.82 -39.47 25.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ALA . 1.1 ttt180 -77.82 -49.35 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 16.9 m -54.77 -51.67 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.2 m-85 -54.65 -31.95 58.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.07 14.09 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.21 -47.44 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -166.52 37.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.8 tp10 -117.74 -48.34 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 25.4 m0 -75.23 -44.62 4.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 3.52 5.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.415 ' HG1' ' HA ' ' A' ' 42' ' ' GLU . 15.8 p -117.75 21.14 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 6.6 m-30 -100.62 -4.8 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.579 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.3 m-20 59.88 83.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG11 HD11 ' A' ' 67' ' ' ILE . 19.3 m -157.63 -45.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.65 41.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 42.3 t-105 -105.16 124.34 36.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.5 26.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.99 2.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.672 ' CD ' HG21 ' A' ' 7' ' ' THR . 22.3 mm-40 -76.34 -24.51 54.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 106.98 174.74 22.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -156.01 149.22 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 25.2 m-85 -107.93 39.37 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' HG23 ' A' ' 60' ' ' VAL . 46.7 t0 -97.49 107.08 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -45.63 -43.63 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -55.98 -53.41 57.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 57' ' ' ASP . 51.4 t -62.51 -42.54 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 HG11 ' A' ' 90' ' ' VAL . 50.7 mt -55.34 -38.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.86 -25.81 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -71.16 -51.29 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.876 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.8 t -74.42 -36.97 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.7 tttt -61.5 -47.14 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.08 -24.37 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.903 HD11 HG11 ' A' ' 48' ' ' VAL . 69.0 mt -79.96 -38.9 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -79.31 -29.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' LYS . 15.5 m-85 -99.6 26.7 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' PHE . 61.1 mt-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' VAL . 5.3 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.16 16.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -90.73 -39.99 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 54.5 mt-30 -88.05 -16.82 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.1 mt-30 -49.0 -49.11 70.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.67 15.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.903 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.2 m-85 -78.92 -49.07 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.678 HG21 HG21 ' A' ' 68' ' ' VAL . 6.7 tp -66.09 -37.32 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 26' ' ' LEU . 4.7 m -50.0 -44.82 51.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -64.26 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 47.9 m95 -57.85 -46.97 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -59.42 -36.47 75.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.34 -32.74 62.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 19' ' ' ILE . 15.1 mt -61.16 -54.1 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 61' ' ' ILE . 13.5 m -64.98 -49.51 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 90' ' ' VAL . 12.5 mm-40 -49.48 -49.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 33.7 m-80 -113.46 60.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 57.9 p -37.44 115.17 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 166.36 29.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.73 12.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 54.3 p-90 -80.27 -8.41 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 2.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 12' ' ' THR . 18.2 Cg_endo -74.98 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.806 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.3 -47.89 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -48.94 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 97' ' ' ILE . 12.8 mt -55.56 -45.13 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 8' ' ' PRO . 15.9 p -62.7 -54.55 37.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 9' ' ' LEU . 2.8 mm? -56.88 -47.48 80.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.5 -23.5 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -123.32 43.18 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 41.0 t-105 -54.22 -37.16 64.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -53.95 -41.78 68.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.4 tp10 -69.6 -39.45 77.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.867 ' CD1' HD11 ' A' ' 89' ' ' LEU . 15.6 mm -67.3 -35.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -71.6 -25.68 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -43.95 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.67 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.9 mmt180 -59.32 -31.57 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -75.06 -35.84 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.42 -46.34 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -71.4 -29.52 65.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 HG22 ' A' ' 84' ' ' THR . 80.4 mt -85.61 -0.97 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t 56.72 55.25 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.536 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 m -145.62 148.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -110.51 135.73 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.919 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.4 pt -141.71 163.16 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.61 165.74 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 4.8 tttm -93.77 -12.43 29.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.52 -49.99 5.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.567 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 13.0 t-105 -49.26 -39.87 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -49.04 26.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 m -55.75 -51.5 67.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 13.3 m-85 -56.5 -32.77 65.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.65 11.93 36.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.98 -66.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.6 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -146.87 39.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 5.1 tp10 -115.82 -50.35 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 33.6 m0 -77.29 -43.97 2.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.6 HG21 ' O ' ' A' ' 41' ' ' SER . 16.6 p -113.23 21.33 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 7.4 m-30 -101.94 -11.37 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.4 m-20 63.96 78.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.771 HG23 ' H ' ' A' ' 49' ' ' GLY . 2.3 m -150.97 -68.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.771 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 176.31 33.54 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -106.25 116.17 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -0.72 10.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -116.65 -9.42 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.29 167.28 41.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.572 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -152.44 148.98 28.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.417 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 26.4 m-85 -101.43 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -108.92 110.84 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.533 HD21 ' HG2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -55.84 -28.91 58.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.9 m -63.48 -54.46 36.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -68.66 -43.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.799 ' CD1' HG11 ' A' ' 90' ' ' VAL . 59.1 mt -53.94 -38.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -67.91 -25.98 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.81 -52.17 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.754 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.5 t -64.35 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.5 ttmt -61.07 -53.09 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.08 -37.12 43.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 64' ' ' VAL . 41.7 mt -63.1 -53.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -67.79 -26.55 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -99.89 28.82 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.6 m80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -86.14 -40.13 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -87.6 -16.75 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.4 mt-30 -49.09 -49.55 68.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -22.72 14.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.919 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.1 m-85 -75.85 -50.23 15.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 79' ' ' GLN . 9.1 tp -66.95 -32.14 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.698 HG22 HD13 ' A' ' 26' ' ' LEU . 2.1 m -53.29 -45.03 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HG23 ' A' ' 19' ' ' ILE . 25.9 t -64.16 -43.32 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.567 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 44.3 m95 -53.19 -51.2 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -55.07 -37.02 66.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -73.27 -35.6 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.867 HD11 ' CD1' ' A' ' 19' ' ' ILE . 10.1 mt -58.51 -54.58 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 61' ' ' ILE . 23.6 m -63.86 -47.92 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 14.6 mm-40 -47.98 -55.41 10.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' SER . 35.7 m-80 -107.68 59.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' ASN . 59.6 p -35.99 113.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.08 167.0 27.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.04 13.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 62.2 p-90 -81.01 -7.01 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.96 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -52.35 -48.5 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -41.99 90.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 11.2 mt -57.87 -48.14 80.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' PRO . 39.0 p -63.3 -54.56 35.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.9 mm? -54.38 -47.93 72.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -53.58 -25.49 17.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CE1' ' CB ' ' A' ' 96' ' ' TRP . 11.1 m80 -122.81 48.73 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CH2' ' O ' ' A' ' 31' ' ' LYS . 44.4 t-105 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -53.74 -48.79 69.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.0 tp10 -60.74 -43.94 97.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.705 HD12 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -64.43 -39.57 86.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 14.4 mtm180 -71.22 -28.25 64.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -49.36 46.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.7 mmt180 -55.7 -30.69 61.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -63.85 -40.34 96.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -41.06 87.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -70.17 -29.31 66.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 84' ' ' THR . 89.0 mt -93.31 -8.06 43.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.3 m 64.33 53.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.84 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.6 m -144.03 152.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.36 135.75 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.024 HG22 ' CE1' ' A' ' 82' ' ' TYR . 12.5 pt -142.05 163.08 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -113.22 166.9 11.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.1 ttpm? -91.9 -13.78 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.97 -50.88 4.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.698 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 16.2 t-105 -48.15 -37.25 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.1 -47.01 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.5 m -54.68 -51.89 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 m-85 -57.49 -30.98 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.82 14.51 31.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.74 -64.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 45' ' ' THR . 13.7 t -147.34 38.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.7 tp10 -116.67 -49.24 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.659 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 31.6 m0 -77.3 -44.26 2.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.0 1.5 7.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.605 HG21 ' OG ' ' A' ' 41' ' ' SER . 2.6 p -110.88 17.25 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.6 m-30 -98.55 -15.42 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.867 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 70.1 95.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -169.08 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.759 ' O ' HG21 ' A' ' 60' ' ' VAL . . . -174.94 33.15 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -105.1 112.62 65.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.11 9.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.553 ' CD ' HG21 ' A' ' 7' ' ' THR . 7.7 mm-40 -116.19 -12.38 11.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.52 176.08 44.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.638 HG22 HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -161.61 145.05 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 38.7 m-85 -95.61 44.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' THR . 50.8 t0 -104.91 101.7 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.6 tp -48.64 -27.24 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -62.56 -53.85 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -70.21 -41.24 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.762 ' CD1' HG11 ' A' ' 90' ' ' VAL . 72.1 mt -54.17 -48.63 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -54.74 -33.88 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 2.1 mm-40 -68.96 -52.18 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.6 t -65.27 -39.2 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 5.0 tttt -66.88 -51.21 58.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.01 -24.37 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 64' ' ' VAL . 68.1 mt -78.72 -53.54 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -65.57 -35.07 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 15.2 m-85 -94.05 31.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.16 17.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 19.1 m-20 -85.03 -37.77 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 83' ' ' ILE . 46.7 mt-30 -88.01 -16.03 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 19.4 mt-30 -47.93 -48.78 61.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.01 16.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 1.024 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -79.98 -49.7 11.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.595 HG21 HG21 ' A' ' 68' ' ' VAL . 6.5 tp -69.24 -34.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 26' ' ' LEU . 1.3 m -53.56 -44.5 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 19' ' ' ILE . 46.2 t -63.02 -37.32 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.698 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 25.8 m95 -61.2 -48.72 80.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.9 -33.99 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -29.03 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.705 HD11 HD12 ' A' ' 19' ' ' ILE . 10.7 mt -65.93 -54.57 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.9 m -57.2 -45.27 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -55.77 -67.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -91.96 62.7 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -40.76 114.24 1.09 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -74.99 164.8 32.65 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.24 13.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.582 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 57.5 p-90 -80.79 -10.18 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.8 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 13' ' ' LEU . 20.7 tp -56.26 -45.95 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -67.89 -38.83 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 7' ' ' THR . 12.8 mt -66.66 -47.95 70.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.7 p -58.24 -48.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 9' ' ' LEU . 16.6 mt -66.69 -33.95 76.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.37 -34.87 79.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -113.53 41.34 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -51.53 -37.95 51.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -53.37 -40.05 64.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 26.8 tt0 -73.88 -41.55 62.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.862 HG23 HG11 ' A' ' 85' ' ' VAL . 19.8 mm -64.21 -33.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -71.45 -27.57 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -49.79 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 10.7 mtt-85 -52.26 -40.51 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -46.63 79.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -35.25 80.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 HG22 ' A' ' 84' ' ' THR . 92.6 mt -79.59 -17.87 52.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t 76.86 46.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 1.6 m -141.88 153.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.47 135.08 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.93 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.3 pt -139.38 164.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -120.08 166.77 12.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 2.7 tttm -91.43 -24.6 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -68.66 -49.8 40.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 -40.23 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.6 t-105 -49.18 -37.34 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -74.85 -49.05 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -56.13 -51.55 67.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.576 ' CE1' ' NE2' ' A' ' 79' ' ' GLN . 16.9 m-85 -59.39 -27.77 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.1 t -106.01 14.86 27.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 36' ' ' ARG . . . -99.11 -60.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.577 ' O ' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -151.43 38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.3 tp10 -116.3 -51.07 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.5 m0 -76.97 -44.15 2.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.92 7.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 41' ' ' SER . 23.9 p -114.7 19.98 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-30 -103.45 -18.83 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.868 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER 72.88 95.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -168.4 -56.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.958 ' O ' HG21 ' A' ' 60' ' ' VAL . . . 161.61 36.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -107.68 116.3 57.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.05 169.18 23.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -114.14 -7.6 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 88.22 169.25 44.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.621 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -155.83 146.22 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.665 ' O ' HG12 ' A' ' 90' ' ' VAL . 19.9 m-85 -99.74 49.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -109.82 107.05 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 5.3 tp -51.22 -27.21 8.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.7 m -62.43 -54.59 37.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -70.51 -40.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.704 HD12 HG11 ' A' ' 90' ' ' VAL . 50.2 mt -54.69 -49.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.1 -34.89 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -52.22 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.824 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 t -61.38 -40.52 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 5.1 tttt -63.96 -50.75 67.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.15 43.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.6 HG21 ' CD2' ' A' ' 46' ' ' PHE . 68.2 mt -76.9 -49.88 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -68.76 -34.8 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 29.5 m-85 -89.3 33.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.55 19.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.6 OUTLIER -87.5 -36.36 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.576 ' NE2' ' CE1' ' A' ' 38' ' ' PHE . 1.4 mp0 -88.19 -17.12 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 6.1 mt-30 -49.7 -48.75 76.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -23.09 14.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.93 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -76.71 -50.08 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . 8.3 tp -63.32 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.492 HG22 HD13 ' A' ' 26' ' ' LEU . 46.1 m -59.08 -51.62 69.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.862 HG11 HG23 ' A' ' 19' ' ' ILE . 94.6 t -54.7 -47.46 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.634 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 31.6 m95 -51.25 -50.09 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.029 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -55.11 -33.3 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.3 -32.31 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -62.81 -46.9 85.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 61' ' ' ILE . 24.6 m -65.06 -41.65 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -64.52 -71.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.5 76.15 9.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p -53.58 111.17 2.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.831 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.03 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.24 13.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 97' ' ' ILE . 10.3 p-90 -80.32 -8.11 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.831 HD12 ' CG ' ' A' ' 94' ' ' PRO . 9.8 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 8' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 -44.58 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.4 tp -66.33 -39.65 89.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t -71.84 -39.26 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.58 -49.33 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.1 p -58.81 -38.68 79.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 47.0 mt -70.21 -43.86 69.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -57.23 -35.59 69.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -110.81 40.18 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 41.8 t-105 -49.5 -38.32 29.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.034 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.7 m -53.29 -35.57 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 10.9 tt0 -76.38 -40.56 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.573 HG23 HG11 ' A' ' 85' ' ' VAL . 13.3 mm -65.96 -35.85 76.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.8 mtm180 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.16 -43.4 28.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -54.93 -32.25 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.12 -41.59 49.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -47.42 78.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -30.34 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 84' ' ' THR . 43.6 mt -86.76 0.77 54.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.0 m 58.48 45.43 16.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.619 HG23 ' HB1' ' A' ' 23' ' ' ALA . 31.1 m -137.64 157.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -120.08 141.29 49.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.955 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.5 pt -144.12 166.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -121.97 168.02 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.1 ttpp -86.2 -41.17 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -54.32 -50.34 56.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.601 1.188 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.1 Cg_endo -75.02 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 15.3 t-105 -48.96 -39.87 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.51 -48.64 18.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.6 m -54.08 -52.21 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 9.2 m-85 -57.48 -31.11 65.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.84 16.79 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -101.24 -65.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' HG21 ' A' ' 45' ' ' THR . 9.1 t -141.82 32.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.618 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 tp10 -115.99 -51.02 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.701 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.2 m0 -77.06 -42.28 2.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.037 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.08 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.81 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.421 HG21 ' OG ' ' A' ' 41' ' ' SER . 33.2 p -120.68 22.53 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.6 m-30 -97.22 16.11 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 42.54 59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.54 -44.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 39.92 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.642 ' HE3' HG12 ' A' ' 60' ' ' VAL . 10.5 t-105 -103.92 125.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.56 3.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.2 -20.28 60.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 100.06 -179.59 29.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -162.98 140.34 7.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 38.5 m-85 -94.57 33.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -94.27 107.62 19.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.4 tp -47.58 -39.07 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.2 m -53.89 -52.88 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.642 HG12 ' HE3' ' A' ' 50' ' ' TRP . 41.4 t -68.42 -43.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 90' ' ' VAL . 74.2 mt -56.84 -52.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -53.39 -36.73 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' CB ' HG21 ' A' ' 48' ' ' VAL . 61.8 mm-40 -65.07 -52.8 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 68' ' ' VAL . 15.6 t -66.77 -41.16 87.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.9 tttt -62.48 -53.68 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.89 -35.32 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 64' ' ' VAL . 36.7 mt -61.66 -50.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -72.39 -34.62 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 22.6 m-85 -89.79 25.44 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 79' ' ' GLN . 1.8 m80 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -6.08 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.638 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.4 m-20 -83.24 -40.01 20.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 9.4 mt-30 -88.1 -16.8 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt-30 -48.8 -48.59 70.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.955 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.5 m-85 -76.24 -49.77 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 86' ' ' TRP . 8.7 tp -70.04 -35.67 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.662 HG22 HD13 ' A' ' 26' ' ' LEU . 2.7 m -51.31 -42.94 61.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.573 HG11 HG23 ' A' ' 19' ' ' ILE . 25.3 t -66.28 -37.89 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 18.9 m95 -59.12 -48.69 80.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -33.96 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.76 -38.26 70.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -54.86 -43.89 73.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 61' ' ' ILE . 21.9 t -65.01 -54.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -46.68 -71.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -90.6 85.29 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.0 p -62.98 111.75 5.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.822 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.93 168.0 25.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 97' ' ' ILE . 41.3 p-90 -80.53 -5.55 56.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.822 HD12 ' CG ' ' A' ' 94' ' ' PRO . 16.5 mt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.7 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 13' ' ' LEU . 15.4 tp -53.92 -42.39 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -70.75 -46.18 63.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 7' ' ' THR . 18.6 mt -57.4 -42.06 81.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -66.29 -54.38 25.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 9' ' ' LEU . 65.0 mt -57.99 -43.1 86.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.05 -19.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.34 37.86 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.532 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 43.3 t-105 -48.35 -37.9 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -53.44 -41.86 66.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -69.9 -45.66 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.785 HG23 HG11 ' A' ' 85' ' ' VAL . 4.8 mm -61.67 -33.97 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -71.06 -32.16 68.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -44.03 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -56.9 -33.81 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.91 -41.71 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.15 99.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.51 -35.62 73.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD13 HG22 ' A' ' 84' ' ' THR . 89.2 mt -80.65 -9.19 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m 65.96 42.41 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.945 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.6 m -140.83 152.35 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' ILE . 3.3 tp10 -112.36 140.89 46.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.8 pt -141.28 162.75 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -114.93 166.26 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 6.8 tttt -92.01 -13.51 30.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.61 -50.36 5.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -74.97 -38.3 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 16.3 t-105 -49.68 -38.9 34.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ALA . 6.1 ttp180 -76.59 -49.34 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -52.28 62.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 79' ' ' GLN . 11.1 m-85 -58.7 -29.34 66.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -104.62 16.27 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -100.05 -59.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.589 ' O ' HG21 ' A' ' 45' ' ' THR . 41.6 t -152.23 37.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.58 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 3.5 tp10 -117.06 -49.4 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.1 m0 -77.36 -43.65 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 108.038 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 3.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 41' ' ' SER . 6.1 p -111.85 12.76 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.1 m-30 -95.66 -4.08 44.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.83 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER 57.22 93.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.83 HG13 ' O ' ' A' ' 47' ' ' ASP . 2.0 m -164.51 -71.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.805 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 178.35 33.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 24.6 t-105 -106.41 114.23 62.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 171.41 18.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.73 8.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 7.6 mp0 -115.98 -11.12 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.465 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.36 176.11 44.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.744 ' CG2' HG11 ' A' ' 60' ' ' VAL . 13.2 t -160.78 157.72 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 40.2 m-85 -108.24 47.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 60' ' ' VAL . 33.4 t0 -109.1 106.74 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 87' ' ' GLN . 4.2 tp -52.37 -28.31 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -61.19 -53.08 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.744 HG11 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.71 -40.77 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG11 ' A' ' 90' ' ' VAL . 46.9 mt -54.63 -49.58 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -34.23 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.29 -51.67 35.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 68' ' ' VAL . 25.3 t -65.42 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 5.3 tttt -65.07 -50.46 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.75 33.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 64' ' ' VAL . 62.1 mt -75.36 -51.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.88 -28.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 30.2 m-85 -97.95 28.15 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.7 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.98 -9.8 20.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.9 t0 -87.67 -38.47 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.569 ' HG2' ' CD2' ' A' ' 38' ' ' PHE . 30.4 mt-30 -88.01 -16.79 32.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 13.0 mt-30 -48.74 -49.12 68.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.58 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.96 -23.22 14.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -76.61 -49.84 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 68' ' ' VAL . 10.9 tp -66.77 -25.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -65.94 -51.06 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.785 HG11 HG23 ' A' ' 19' ' ' ILE . 98.4 t -54.73 -40.33 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.579 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 22.2 m95 -61.49 -37.21 82.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 90' ' ' VAL . 2.6 tt0 -68.53 -37.31 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 9.1 t0 -74.76 -29.02 60.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 19' ' ' ILE . 11.1 mt -64.94 -53.24 49.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.62 HG11 ' CD1' ' A' ' 61' ' ' ILE . 35.5 m -58.74 -43.62 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.93 -65.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' SER . 51.6 m-80 -87.59 54.14 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 77.7 p -37.02 112.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.99 164.9 32.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -23.34 13.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 61.9 p-90 -80.41 -10.93 59.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -49.67 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.451 1.764 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 39' ' ' CYS . 24.6 tp -58.37 -41.47 84.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -66.36 -44.09 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 7' ' ' THR . 17.5 mt -61.35 -41.26 96.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 1.6 p -66.63 -50.57 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 32' ' ' LYS . 48.9 mt -59.03 -46.1 89.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.55 -31.23 56.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -115.69 38.28 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' NE ' ' A' ' 20' ' ' ARG . 43.4 t-105 -48.82 -37.73 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.58 -42.26 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.82 -45.56 67.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.739 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.82 -36.72 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.5 mtm180 -71.27 -28.56 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -49.37 54.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -54.14 -39.58 66.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -58.77 -42.53 89.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -45.84 89.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.3 -34.89 79.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -80.65 -15.63 56.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 t 74.69 43.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.056 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.562 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 29.6 m -137.25 158.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.96 136.37 54.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.913 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.7 pt -140.92 168.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -121.0 166.62 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.554 ' HG3' HD22 ' A' ' 13' ' ' LEU . 13.6 tttp -91.96 -21.74 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -71.49 -50.05 22.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -75.02 -38.83 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.437 1.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.0 t-105 -49.32 -39.36 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -77.3 -49.69 14.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 5.6 m -54.6 -52.28 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.5 m-85 -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.5 t -104.68 14.98 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.62 -47.33 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.95 38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.6 tp10 -119.31 -47.44 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 19.1 m0 -75.23 -44.33 4.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.5 5.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 p -115.48 21.44 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-30 -99.81 -18.65 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.738 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.0 t0 76.0 87.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.876 HG11 HD11 ' A' ' 67' ' ' ILE . 1.6 m -161.55 -44.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.81 40.73 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.668 ' HE3' HG12 ' A' ' 60' ' ' VAL . 20.7 t-105 -105.08 127.58 28.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 168.79 24.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.26 5.55 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.81 -25.54 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.06 175.52 22.8 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -155.99 145.23 20.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 35.9 m-85 -97.73 47.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -112.8 106.88 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -45.8 -41.1 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -54.8 -48.36 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.668 HG12 ' HE3' ' A' ' 50' ' ' TRP . 79.6 t -70.22 -33.6 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 83' ' ' ILE . 58.8 mt -65.72 -52.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -25.55 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.99 -52.27 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.765 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.5 t -72.11 -37.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 3.8 ttmt -60.79 -53.31 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.43 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.876 HD11 HG11 ' A' ' 48' ' ' VAL . 43.0 mt -65.77 -52.27 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.1 -35.48 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 80' ' ' GLN . 15.5 m-85 -84.76 8.5 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.448 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -10.36 21.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t70 -82.2 -35.96 27.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.649 ' O ' HG22 ' A' ' 83' ' ' ILE . 40.2 mt-30 -88.32 -17.1 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.61 ' OE1' ' CE2' ' A' ' 69' ' ' PHE . 9.3 mt-30 -49.04 -48.14 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -24.01 13.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.913 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.7 m-85 -75.66 -49.35 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 79' ' ' GLN . 5.1 tp -70.11 -35.08 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.457 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -53.12 -42.28 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.739 HG11 HG23 ' A' ' 19' ' ' ILE . 39.0 t -64.71 -43.39 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.631 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 10.9 m95 -51.43 -49.54 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.0 -31.87 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.54 -29.0 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.714 HD21 HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -66.78 -52.52 43.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 61' ' ' ILE . 32.8 m -64.66 -33.2 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -70.32 -68.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 71.2 m-20 -87.63 56.62 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.5 p -37.59 111.47 0.56 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.807 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.02 168.16 25.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -24.21 12.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.634 ' CE3' HG13 ' A' ' 97' ' ' ILE . 13.9 p-90 -80.11 -5.2 55.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.807 HD12 ' CG ' ' A' ' 94' ' ' PRO . 28.6 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 110.432 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 12' ' ' THR . 18.1 Cg_endo -75.05 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 13' ' ' LEU . 8.9 tp -70.42 -36.62 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' ASP . 8.1 t -76.87 -48.15 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -53.07 -56.25 17.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 8' ' ' PRO . 41.5 p -51.94 -44.75 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.2 mm? -68.78 -34.43 75.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' SER . 1.5 m-20 -78.03 -6.99 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -134.66 35.22 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.604 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CH2' HG13 ' A' ' 30' ' ' ILE . 47.0 t-105 -48.43 -38.77 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.9 m -53.33 -44.1 68.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 34.0 tt0 -68.36 -45.87 71.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.844 HG23 HG11 ' A' ' 85' ' ' VAL . 5.0 mm -60.43 -36.39 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtm105 -70.25 -30.14 67.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -47.3 69.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 7.9 mtt-85 -59.71 -35.38 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.17 -34.87 71.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -67.46 -46.65 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.32 -30.22 70.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 84' ' ' THR . 87.4 mt -87.49 -12.76 45.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 67.85 56.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.629 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 7.8 m -144.35 145.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.21 138.44 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.8 pt -142.45 161.56 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.42 166.37 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.74 -17.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.504 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -75.43 -49.96 8.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 -38.53 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CH2' HG21 ' A' ' 19' ' ' ILE . 7.9 t-105 -49.43 -46.64 47.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -70.25 -49.54 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 8.5 m -54.44 -51.98 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.6 m-85 -56.85 -28.79 62.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -105.44 13.65 29.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.34 -57.28 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.17 38.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.627 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -117.48 -50.09 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.661 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.0 m0 -76.76 -44.02 3.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.03 1.59 7.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.5 p -119.0 21.25 12.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.5 m-30 -97.48 -17.66 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.681 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 77.43 83.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.752 HG11 HD11 ' A' ' 67' ' ' ILE . 6.9 m -159.4 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 143.79 44.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.572 ' HE3' HG12 ' A' ' 60' ' ' VAL . 39.2 t-105 -103.98 126.13 32.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.98 164.09 34.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -72.81 -29.25 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 51' ' ' PRO . . . 114.4 174.43 18.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -162.8 149.89 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 33.1 m-85 -110.86 36.16 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.588 ' OD2' HG23 ' A' ' 60' ' ' VAL . 54.9 t0 -93.2 109.37 20.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.3 tp -46.83 -44.35 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -54.35 -43.77 71.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.588 HG23 ' OD2' ' A' ' 57' ' ' ASP . 86.9 t -75.39 -39.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.882 HD12 HG21 ' A' ' 90' ' ' VAL . 58.3 mt -62.55 -53.63 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.48 -27.83 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.58 -52.46 21.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.884 ' O ' HG13 ' A' ' 68' ' ' VAL . 8.0 t -70.91 -39.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 5.2 tttt -59.31 -48.94 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.87 64.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.752 HD11 HG11 ' A' ' 48' ' ' VAL . 65.7 mt -77.73 -40.52 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.884 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -78.23 -29.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.7 m-85 -96.7 33.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.465 ' CE1' ' CZ ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.6 18.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.623 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 t0 -86.16 -37.45 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.23 -17.68 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 9.5 mt-30 -49.66 -48.61 76.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.93 -23.88 13.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.908 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -75.12 -50.44 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 86' ' ' TRP . 6.9 tp -66.22 -32.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.735 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.54 -45.82 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.844 HG11 HG23 ' A' ' 19' ' ' ILE . 75.2 t -62.8 -41.66 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.618 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 27.2 m95 -56.4 -47.49 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.84 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -59.25 -36.53 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 19' ' ' ILE . 8.0 mt -58.21 -49.77 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.882 HG21 HD12 ' A' ' 61' ' ' ILE . 48.3 t -56.42 -45.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.58 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.2 m-80 -86.43 55.43 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 6.8 p -37.15 113.5 0.63 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.554 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -75.01 166.3 29.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.99 12.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.638 ' CE3' HG13 ' A' ' 97' ' ' ILE . 30.5 p-90 -80.24 -8.75 59.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 95.7 p -74.67 123.46 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -165.98 113.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.17 161.71 35.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -129.53 74.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -171.1 148.2 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.77 133.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.655 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.3 p -109.87 161.24 25.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.95 -46.26 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -54.77 -41.56 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -41.4 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' THR . 10.8 mt -62.81 -38.55 91.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.4 p -72.52 -54.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD22 ' HG3' ' A' ' 32' ' ' LYS . 57.2 mt -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.98 -38.52 91.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -107.1 39.03 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.8 t-105 -47.68 -37.36 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -54.09 -41.99 68.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -68.86 -42.39 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 19' ' ' ILE . 2.3 mm -62.02 -37.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 30.1 mtm105 -71.25 -31.8 67.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -45.85 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -60.5 -29.97 69.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -72.32 -40.58 67.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.18 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.28 -28.02 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.89 -12.6 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t 72.9 44.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.0 m -137.59 160.17 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 141.16 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.991 HG22 ' CE1' ' A' ' 82' ' ' TYR . 6.2 pt -144.31 162.67 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -113.06 166.09 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -92.69 -13.09 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.75 -50.17 5.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -74.95 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 10.8 t-105 -49.23 -38.9 28.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.3 m -54.82 -52.24 63.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 10.7 m-85 -58.36 -29.26 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.93 14.5 31.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.47 -60.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -152.27 36.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.3 tp10 -115.73 -50.64 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.2 m0 -75.91 -43.79 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 1.75 7.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 41' ' ' SER . 71.7 p -118.92 16.09 13.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.4 m-30 -91.7 -18.89 23.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.592 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.9 t70 78.27 84.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -159.94 -45.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.47 41.0 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.621 ' HE3' HG12 ' A' ' 60' ' ' VAL . 16.5 t-105 -104.45 125.5 33.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.01 163.18 35.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.65 16.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 6.3 mp0 -87.73 -25.7 23.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.2 172.67 21.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.435 HG21 HG11 ' A' ' 60' ' ' VAL . 14.3 t -163.14 142.44 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 37.8 m-85 -99.25 38.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -99.83 109.44 21.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.401 HD13 ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -46.72 -37.19 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -58.9 -51.52 69.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.621 HG12 ' HE3' ' A' ' 50' ' ' TRP . 86.6 t -68.82 -33.3 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG21 ' A' ' 90' ' ' VAL . 57.4 mt -66.63 -53.59 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.51 -25.96 40.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 67' ' ' ILE . 3.5 mm-40 -67.28 -52.23 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 t -67.72 -40.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 -35.37 78.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.71 55.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.3 mt -65.61 -41.74 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' A' ' 76' ' ' HIS . 5.9 t -60.21 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 26.8 m-85 -90.31 41.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -85.91 -174.11 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.38 139.71 39.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.04 -168.25 16.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.5 14.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.21 -34.91 57.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.9 p -47.65 148.4 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' HB2' HG13 ' A' ' 68' ' ' VAL . 98.7 m-70 -113.91 94.45 33.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.1 21.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.6 m-20 -89.3 -37.29 15.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 29.2 mt-30 -88.11 -17.35 31.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.2 mt-30 -49.16 -48.52 73.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.96 -23.14 14.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.991 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -77.14 -49.84 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' GLN . 10.9 tp -68.46 -29.77 45.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -59.61 -52.68 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.578 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -54.75 -45.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 21.4 m95 -53.23 -37.82 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.74 -41.63 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -37.22 86.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 86' ' ' TRP . 7.0 mt -56.47 -54.5 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 61' ' ' ILE . 85.4 t -50.7 -65.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -39.96 -67.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -90.07 71.76 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -55.19 114.62 7.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.45 13.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 66.2 p-90 -80.3 -10.54 59.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt -100.67 -61.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -110.91 117.52 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -109.41 135.23 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.83 162.0 35.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.4 m 63.46 82.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 63.7 p -62.21 109.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.057 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.53 114.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.94 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.17 -168.47 12.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.16 -60.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.99 166.16 22.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.25 126.16 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 11' ' ' LEU . 5.8 p -97.4 155.92 36.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.55 -48.8 68.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -64.56 -46.01 84.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 7' ' ' THR . 13.6 mt -55.68 -51.15 68.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -31.66 72.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.84 -42.73 60.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.54 -36.22 77.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -107.66 36.68 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CH2' HG13 ' A' ' 30' ' ' ILE . 38.8 t-105 -48.02 -36.38 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -54.82 -45.32 74.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.05 -41.05 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.643 HD12 HD11 ' A' ' 89' ' ' LEU . 6.3 mm -66.43 -35.79 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 40.7 mtm180 -71.59 -26.6 62.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -47.75 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -55.87 -31.23 62.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.01 -37.99 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -42.19 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -36.35 82.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.52 -18.64 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 t 78.0 50.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.651 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 5.9 m -142.7 154.81 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 139.73 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.964 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.1 pt -143.3 157.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 6.2 mmpt? -110.09 165.64 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 5.0 tttt -92.77 -11.53 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.7 -50.83 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.3 t-105 -49.67 -38.96 34.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -49.4 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -55.46 -48.35 74.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.4 m-85 -56.61 -40.69 75.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 t -89.01 8.96 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -89.98 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.49 40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 2.9 tp10 -117.9 -49.37 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.2 m0 -75.54 -44.36 4.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.1 Cg_endo -75.05 1.46 7.74 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 41' ' ' SER . 1.9 p -112.19 20.22 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CZ ' ' NE2' ' A' ' 76' ' ' HIS . 8.8 m-30 -101.35 -17.78 16.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 74.63 89.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' ASP . 6.7 m -160.84 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.31 41.07 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 60' ' ' VAL . 17.9 t-105 -104.44 126.51 31.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.01 163.43 35.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.57 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -75.77 -16.38 60.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.4 174.44 31.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.534 HG21 HG11 ' A' ' 60' ' ' VAL . 8.7 t -160.8 153.43 20.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.713 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.8 m-85 -110.27 41.31 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -104.36 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.4 -43.28 11.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 m -55.25 -50.1 70.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 50' ' ' TRP . 55.2 t -68.12 -32.21 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 90' ' ' VAL . 75.0 mt -68.98 -52.51 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.74 -27.8 30.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.7 mm-40 -64.3 -53.01 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.63 -39.04 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 9.4 tttt -58.1 -37.32 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.84 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -65.86 -42.53 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' HIS . 15.4 t -59.18 -51.21 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 24.3 m-85 -91.54 42.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.89 -172.47 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.83 153.75 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.56 -178.17 31.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.14 14.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.48 -28.04 58.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 p -44.65 151.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.646 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 46.5 m-70 -115.92 88.12 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.55 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.81 16.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.619 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 26.3 t0 -82.68 -33.52 27.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.04 -17.34 31.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 11.7 mt-30 -49.44 -48.82 74.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.04 -24.0 13.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.964 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -74.56 -50.11 19.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.4 tp -65.69 -34.9 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -54.41 -51.26 65.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.574 HG11 HG23 ' A' ' 19' ' ' ILE . 85.9 t -57.68 -43.97 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.655 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 33.1 m95 -53.53 -44.91 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.34 -47.66 83.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.38 -40.41 74.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 HD12 ' A' ' 19' ' ' ILE . 6.5 mt -55.26 -54.47 43.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.799 HG21 HD12 ' A' ' 61' ' ' ILE . 75.0 t -51.48 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -43.96 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -92.47 65.82 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 p -49.09 117.58 6.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.57 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 165.02 32.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.52 13.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 58.7 p-90 -80.51 -9.38 59.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.713 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.9 mt -102.31 -60.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.2 116.52 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.2 t -104.09 134.56 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -67.15 162.91 45.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.43 9.92 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.7 m -98.98 111.19 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.1 m 62.96 111.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 t -90.06 79.7 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.71 79.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.59 84.58 1.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.3 m 58.75 78.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.3 100.91 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.01 127.65 2.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.733 HG21 ' OE1' ' A' ' 53' ' ' GLU . 40.2 p -100.39 160.42 27.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 13' ' ' LEU . 46.9 tp -53.12 -46.48 68.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -65.59 -45.9 81.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 8.9 mt -59.48 -45.1 92.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -63.36 -49.96 71.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.5 -46.74 87.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.79 -22.3 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -122.97 41.77 3.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 40.7 t-105 -51.31 -36.32 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -54.27 -46.26 72.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.46 -41.17 96.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.779 HD12 HD11 ' A' ' 89' ' ' LEU . 5.5 mm -66.89 -36.57 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.53 -28.08 63.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.5 m -74.09 -48.72 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -54.03 -33.47 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.18 -33.68 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -41.09 85.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -28.14 62.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 84' ' ' THR . 95.0 mt -88.44 -8.8 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m 65.6 51.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.612 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 6.5 m -144.57 151.39 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.72 143.64 44.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.95 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.4 pt -144.1 168.32 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -117.79 166.09 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE3' ' CD1' ' A' ' 16' ' ' TRP . 3.9 ttmt -93.49 -12.52 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.35 -50.12 5.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 29.4 t-105 -49.69 -39.36 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -77.51 -49.83 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.8 m -54.49 -50.66 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.9 m-85 -55.69 -33.83 64.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -100.03 12.78 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 108.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.58 -55.62 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -159.01 38.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 4.1 tp10 -116.4 -49.99 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.8 m0 -76.16 -44.52 3.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 41' ' ' SER . 5.5 p -110.53 19.64 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.5 m-30 -102.65 6.16 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.62 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 49' ' ' GLY . 11.7 m -151.68 -59.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 154.0 40.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 32.0 t-105 -105.58 125.55 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 165.09 31.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.04 2.76 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.733 ' OE1' HG21 ' A' ' 7' ' ' THR . 54.0 mm-40 -76.76 -21.98 54.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 105.17 174.71 24.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.5 t -157.49 140.71 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 23.1 m-85 -97.33 43.03 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.02 132.48 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.33 -25.35 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.0 m -74.39 -52.57 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.53 -36.23 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.821 HD12 HG21 ' A' ' 90' ' ' VAL . 25.7 mt -61.75 -45.25 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.4 m-85 -60.93 -33.33 72.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 67' ' ' ILE . 52.8 mt-10 -58.38 -52.16 66.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.9 t -68.14 -34.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -64.19 -36.89 85.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.68 55.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.1 mt -66.02 -41.0 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.3 t -60.93 -47.13 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 18.9 m-85 -96.04 48.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -96.2 175.97 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.74 139.22 33.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.79 -171.45 15.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -4.18 15.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.89 -35.12 51.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.63 150.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.662 ' HB2' HG13 ' A' ' 68' ' ' VAL . 80.0 m-70 -115.59 90.93 27.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.0 -17.1 19.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 3.4 m-20 -88.26 -35.95 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 49.1 mt-30 -88.29 -17.45 30.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt-30 -49.24 -48.31 74.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.0 -23.22 14.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.95 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.78 -49.05 16.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 83' ' ' ILE . 10.8 tp -67.94 -37.47 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 HD13 ' A' ' 26' ' ' LEU . 16.6 m -53.28 -50.88 63.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.709 HG11 HG23 ' A' ' 19' ' ' ILE . 76.7 t -54.48 -45.78 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.728 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.9 m95 -52.65 -44.1 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -59.85 -44.3 94.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.55 -38.44 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 19' ' ' ILE . 12.2 mt -56.86 -52.24 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 61' ' ' ILE . 98.3 t -64.72 -57.96 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' VAL . 3.1 mt-30 -37.87 -54.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' SER . 11.0 m-80 -112.47 63.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' ASN . 54.0 p -38.46 116.96 0.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.572 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.5 Cg_endo -74.92 166.4 29.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -24.45 12.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 97' ' ' ILE . 63.9 p-90 -80.19 -7.76 59.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt -105.52 -54.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.57 -168.89 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -143.29 115.85 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.23 146.43 18.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.447 1.092 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -171.02 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 t -115.47 113.31 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.0 p -106.44 146.56 30.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 m -147.59 -58.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.85 170.7 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.54 177.64 48.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.15 -59.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -104.06 168.93 8.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.28 124.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.681 ' O ' HD12 ' A' ' 11' ' ' LEU . 14.4 p -97.97 159.06 31.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -46.29 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.883 HD22 HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -53.43 -47.49 69.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -65.41 -42.52 92.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 10.0 mt -60.33 -48.96 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -65.03 -54.58 28.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.883 HD11 HD22 ' A' ' 9' ' ' LEU . 11.4 mt -54.35 -28.74 44.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -76.22 -27.03 56.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.8 42.28 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CH2' HG13 ' A' ' 30' ' ' ILE . 46.8 t-105 -49.86 -34.54 20.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -46.02 75.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.85 -42.99 97.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.99 HG23 HG11 ' A' ' 85' ' ' VAL . 24.6 mm -62.33 -43.58 98.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -68.33 -26.19 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -49.18 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.458 HH21 HD23 ' A' ' 89' ' ' LEU . 8.9 mtt-85 -60.34 -37.17 79.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -68.22 -36.64 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -45.88 82.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -27.63 67.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 84' ' ' THR . 96.0 mt -88.16 -10.42 50.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 69.93 48.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG23 ' HB1' ' A' ' 23' ' ' ALA . 12.7 m -139.38 151.33 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -113.27 131.86 55.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.933 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.1 pt -136.86 156.93 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 mtmt -115.15 166.84 11.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -89.15 -32.6 17.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -61.32 -50.85 62.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.98 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.494 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.9 t-105 -48.97 -42.09 36.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -73.08 -48.99 31.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.8 m -54.7 -52.55 62.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 11.5 m-85 -57.64 -28.84 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.9 t -102.26 12.05 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.2 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.554 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -143.75 37.03 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.5 tp10 -115.15 -51.68 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 41.8 m0 -77.43 -43.31 2.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.04 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.554 HG21 ' O ' ' A' ' 41' ' ' SER . 38.8 p -116.81 21.67 13.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.451 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.9 m-30 -101.92 1.89 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 98.3 m-20 55.54 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 47' ' ' ASP . 14.1 m -157.76 -52.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 141.67 42.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.511 ' HE3' HG12 ' A' ' 60' ' ' VAL . 15.5 t-105 -105.21 125.59 33.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 163.32 35.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.21 2.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.3 mp0 -74.82 -12.75 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.87 176.06 36.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 60' ' ' VAL . 14.1 t -159.56 152.1 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 31.3 m-85 -109.29 39.69 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -105.35 109.79 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -45.62 -39.77 8.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -57.08 -51.38 69.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 55' ' ' THR . 98.6 t -67.9 -30.35 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 90' ' ' VAL . 73.8 mt -70.0 -53.55 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.81 -25.14 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt-10 -66.24 -52.51 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -68.48 -44.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 4.0 tttt -54.14 -36.95 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.36 -53.64 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -66.46 -43.83 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.715 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.7 t -57.54 -52.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 11.5 m-85 -87.85 41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 -88.98 -173.16 3.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.07 160.17 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.19 -170.46 41.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.63 -32.88 58.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 p -43.79 148.71 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.715 ' HB2' HG13 ' A' ' 68' ' ' VAL . 57.8 m-70 -116.63 91.25 33.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.07 16.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -84.09 -36.59 22.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.572 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -88.12 -17.66 30.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.7 mt-30 -49.3 -48.77 73.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.1 Cg_endo -75.04 -26.96 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.933 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -69.9 -50.18 44.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.79 -33.79 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 26' ' ' LEU . 1.1 m -56.55 -46.78 80.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.99 HG11 HG23 ' A' ' 19' ' ' ILE . 17.2 t -54.98 -46.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.494 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 72.1 m95 -52.02 -49.87 62.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -55.08 -52.21 63.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.75 -42.01 78.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD11 HD12 ' A' ' 19' ' ' ILE . 6.7 mt -54.85 -54.26 44.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.836 HG21 HD12 ' A' ' 61' ' ' ILE . 89.6 t -50.26 -55.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -47.73 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -91.42 71.67 6.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 p -57.46 109.81 2.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.75 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.04 165.97 30.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.2 14.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.65 ' O ' HD22 ' A' ' 11' ' ' LEU . 66.5 p-90 -80.0 -9.65 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.761 HD11 HD22 ' A' ' 89' ' ' LEU . 18.3 mt -104.99 -60.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 121.69 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.7 p -115.44 130.22 56.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.8 121.69 11.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.99 5.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.75 -75.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 m -152.7 156.8 39.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.5 p -121.31 160.09 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.84 168.66 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.4 150.0 22.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.81 96.84 6.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -167.24 -62.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 125.08 9.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.673 ' O ' HD12 ' A' ' 11' ' ' LEU . 12.8 p -99.91 160.37 27.42 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.65 -46.4 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -66.9 -42.56 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 7' ' ' THR . 9.9 mt -60.36 -38.31 83.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -74.19 -48.62 27.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 36' ' ' ARG . 61.8 mt -61.83 -45.26 94.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.95 -43.14 66.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -102.67 38.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 38.8 t-105 -47.77 -37.95 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 m -53.46 -41.24 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 tt0 -71.14 -50.04 37.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.642 HG21 ' CH2' ' A' ' 35' ' ' TRP . 3.4 mm -55.9 -36.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtp85 -67.01 -33.9 76.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -69.69 -39.15 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -58.23 -32.92 68.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -73.79 -33.72 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -44.58 87.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -27.1 63.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.834 ' O ' HG13 ' A' ' 28' ' ' VAL . 24.7 mt -93.26 14.5 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t 41.91 50.46 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 26' ' ' LEU . 29.8 m -137.72 163.32 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -124.0 136.52 54.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.993 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.4 pt -140.7 173.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -129.55 166.95 18.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 8.6 tttt -91.55 -21.44 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -72.17 -50.5 16.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.05 -38.02 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CH2' HG21 ' A' ' 19' ' ' ILE . 17.1 t-105 -49.1 -39.27 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 1.4 ttt85 -77.52 -49.4 14.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.5 m -54.68 -52.75 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.8 m-85 -56.69 -30.51 63.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 t -102.38 13.64 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.68 -58.35 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -154.09 36.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.5 tp10 -116.27 -48.22 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 27.9 m0 -78.37 -43.82 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 107.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.466 HG21 ' O ' ' A' ' 41' ' ' SER . 68.6 p -120.15 16.66 12.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 1.7 m-30 -90.23 -3.41 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.655 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.4 m-20 61.84 82.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -159.76 -59.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.503 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 152.56 41.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 14.9 t-105 -105.46 123.67 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.03 165.04 32.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -25.37 12.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -85.69 -20.97 28.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 102.13 173.9 27.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HG11 ' A' ' 60' ' ' VAL . 14.0 t -160.82 140.37 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 41.8 m-85 -94.43 30.53 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.873 ' OD2' HG23 ' A' ' 60' ' ' VAL . 26.7 t0 -93.78 109.2 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tp -46.47 -40.66 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -56.72 -52.9 63.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.873 HG23 ' OD2' ' A' ' 57' ' ' ASP . 49.9 t -67.18 -30.25 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 90' ' ' VAL . 92.5 mt -69.74 -53.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.99 -26.39 36.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.0 mm-40 -62.72 -52.37 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.2 t -69.44 -40.25 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.18 -37.64 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.27 -53.24 60.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.2 mt -66.59 -45.38 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' HB2' ' A' ' 76' ' ' HIS . 11.7 t -56.1 -51.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 13.7 m-85 -89.78 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -86.74 -176.1 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.0 142.02 37.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.21 -167.06 14.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -3.56 14.1 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.607 ' O ' ' CD2' ' A' ' 76' ' ' HIS . . . -76.7 -32.59 49.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -41.07 144.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.743 ' HB2' HG13 ' A' ' 68' ' ' VAL . 4.1 m-70 -116.4 87.93 22.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.69 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.616 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 32.0 m-20 -87.99 -39.99 14.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 11.9 mt-30 -87.99 -17.19 31.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.4 mt-30 -48.56 -48.69 67.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -74.99 -24.25 13.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.993 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.3 m-85 -75.33 -49.11 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 tp -71.0 -31.26 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -59.54 -51.77 68.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.577 HG11 HG23 ' A' ' 19' ' ' ILE . 24.2 t -54.86 -43.99 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.615 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 8.1 m95 -51.57 -48.81 63.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -55.12 -31.83 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.96 -40.51 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -54.74 -42.21 71.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 61' ' ' ILE . 98.7 t -68.54 -54.89 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -92.17 76.78 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 p -53.4 114.17 5.77 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.518 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.98 165.25 31.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.72 13.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 97' ' ' ILE . 20.3 p-90 -80.63 -8.87 59.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 mt -103.71 -62.86 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' ILE . 15.7 mttt -125.83 117.68 23.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -141.6 141.9 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.2 -86.58 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -177.17 113.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 t -133.59 104.48 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 84.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.733 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p 48.47 80.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.64 167.42 0.71 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -170.35 106.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -80.25 -17.53 51.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.77 153.43 48.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 11' ' ' LEU . 10.2 p -129.43 156.54 78.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . 18.2 Cg_endo -75.01 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.01 -47.32 71.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -69.87 -35.47 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 7' ' ' THR . 8.3 mt -64.54 -43.36 94.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 p -68.39 -52.32 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.932 HD11 HD22 ' A' ' 9' ' ' LEU . 4.9 mt -55.61 -47.25 76.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.5 -22.26 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -128.51 42.05 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.9 t-105 -49.14 -35.47 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -45.63 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.23 -45.95 78.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.683 HG23 HG11 ' A' ' 85' ' ' VAL . 3.3 mm -61.36 -37.52 77.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 12.9 mtm180 -71.48 -31.04 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -44.25 82.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -59.9 -32.83 71.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.07 -41.89 97.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -40.57 92.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -34.32 70.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.78 -10.12 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 68.62 41.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.867 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 14.4 m -139.5 151.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -111.91 141.34 45.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.974 HG22 ' CE1' ' A' ' 82' ' ' TYR . 17.1 pt -142.86 169.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -123.48 166.46 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -90.12 -22.72 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -70.66 -50.54 24.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.3 Cg_endo -75.01 -37.85 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.643 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.7 t-105 -49.43 -38.84 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -78.02 -48.15 16.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -54.76 -52.88 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 8.9 m-85 -57.06 -26.65 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.639 ' HB3' HD11 ' A' ' 9' ' ' LEU . 5.9 t -107.65 14.3 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.78 -53.92 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -157.52 34.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -116.28 -49.59 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CD1' HG11 ' A' ' 64' ' ' VAL . 24.9 m0 -75.83 -44.81 4.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 1.68 7.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' SER . 35.0 p -115.95 21.48 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.04 -7.5 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.746 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 63.23 88.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -164.29 -43.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.57 40.58 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.83 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.9 t-105 -105.08 123.18 40.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -74.98 166.3 29.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -35.61 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 16.6 mp0 -75.71 -11.43 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.96 177.53 42.22 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.605 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -160.46 149.73 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.749 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 19.9 m-85 -102.75 30.42 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HB3' HG23 ' A' ' 60' ' ' VAL . 55.0 t0 -97.46 109.28 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.94 -38.79 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 m -56.64 -44.36 81.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 50' ' ' TRP . 36.4 t -75.01 -33.33 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 HG21 ' A' ' 90' ' ' VAL . 60.2 mt -67.47 -53.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -53.75 -27.86 31.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.2 mt-10 -65.71 -52.9 47.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.687 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.8 t -67.27 -37.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -63.35 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.59 56.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 46' ' ' PHE . 3.1 mt -66.24 -41.85 89.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 76' ' ' HIS . 24.4 t -59.77 -53.54 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 44.2 m-85 -86.74 43.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 75' ' ' SER . 5.7 pt20 -100.01 135.2 41.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLN . 4.8 t0 39.44 -153.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.78 -72.04 0.91 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.96 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.33 -15.21 41.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -83.32 -172.15 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.585 ' HB2' HG13 ' A' ' 68' ' ' VAL . 95.9 m-70 -134.87 97.28 13.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.56 20.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 7.1 m-20 -89.89 -41.84 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 4.2 mp0 -88.45 -17.71 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 6.2 mt-30 -49.41 -48.4 75.1 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.05 -22.63 14.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.974 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -78.32 -49.75 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.0 tp -65.5 -33.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.2 m -58.97 -49.66 77.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.683 HG11 HG23 ' A' ' 19' ' ' ILE . 81.6 t -54.49 -46.85 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.643 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 17.5 m95 -53.18 -48.62 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -54.69 -34.13 61.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.15 -37.47 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -57.35 -39.02 75.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.788 HG21 HD12 ' A' ' 61' ' ' ILE . 48.6 t -72.22 -47.48 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.29 -66.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -93.57 81.98 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 115.71 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.53 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.05 164.94 32.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.66 13.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CE3' HG13 ' A' ' 97' ' ' ILE . 15.6 p-90 -80.42 -9.49 59.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.749 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 4.4 mt -103.5 -53.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -140.17 146.99 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.15 87.06 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.49 160.83 9.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -89.88 146.96 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.79 167.71 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t -151.25 146.89 26.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.056 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -96.9 159.19 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.04 143.68 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.3 128.77 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.56 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.92 134.15 13.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 p -113.31 162.1 23.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.373 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.814 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.02 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.1 tp -56.61 -38.98 72.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -69.54 -51.31 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 7' ' ' THR . 6.5 mt -55.88 -53.08 61.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 8' ' ' PRO . 51.0 p -52.6 -54.05 38.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 32' ' ' LYS . 82.5 mt -57.14 -43.12 82.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.24 -23.15 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -121.91 38.2 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -48.79 -37.59 19.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -44.01 69.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.1 -43.6 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 89' ' ' LEU . 4.9 mm -63.31 -34.35 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 34.4 mtm180 -71.24 -28.67 64.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -48.41 62.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.548 HH21 HD23 ' A' ' 89' ' ' LEU . 8.6 mtt-85 -55.55 -34.02 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -67.63 -41.23 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.77 -46.66 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.59 -30.76 71.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.69 -0.58 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t 56.65 49.49 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.628 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.2 m -138.17 151.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.35 128.79 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.986 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.4 pt -132.67 165.12 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -122.95 167.19 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD22 ' A' ' 13' ' ' LEU . 5.0 ttmt -88.25 -37.3 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -56.95 -50.28 65.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 18.1 t-105 -49.55 -39.48 34.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 108.009 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -77.62 -50.22 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -54.79 -52.05 63.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.3 m-85 -55.04 -36.07 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 t -95.37 11.59 32.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -92.52 -60.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.533 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -153.83 38.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 tp10 -119.14 -45.17 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 16.9 m0 -78.31 -43.85 2.12 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 3.59 5.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 41' ' ' SER . 2.5 p -109.66 21.16 17.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 13.0 m-85 -94.08 -15.15 25.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.83 64.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' H ' ' A' ' 49' ' ' GLY . 5.2 m -137.57 -61.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 156.82 41.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.0 t-105 -104.87 126.45 31.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 164.41 33.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.7 -24.42 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.76 172.6 22.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -158.48 146.14 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 97' ' ' ILE . 29.3 m-85 -101.58 36.16 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -102.16 103.38 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 9.1 tp -45.34 -30.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.9 m -60.87 -49.58 76.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' HE3' ' A' ' 50' ' ' TRP . 97.3 t -69.85 -32.65 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 90' ' ' VAL . 21.1 mt -64.8 -53.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -26.07 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.1 mm-40 -68.88 -52.4 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 68' ' ' VAL . 19.2 t -70.87 -34.35 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.601 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 4.5 ttmt -65.9 -41.86 90.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.51 -51.19 60.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.4 mt -69.7 -48.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.904 HG13 ' HB2' ' A' ' 76' ' ' HIS . 39.7 t -52.54 -44.55 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 35.5 m-85 -93.78 36.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.423 ' OE1' HG23 ' A' ' 67' ' ' ILE . 18.4 pt20 -81.04 -167.75 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -107.93 150.19 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.67 -166.71 30.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.96 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.553 1.817 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.23 -38.04 71.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -49.6 150.1 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.904 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.6 m-70 -113.93 94.21 32.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.25 21.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.609 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -88.52 -39.05 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 9.9 mt-30 -88.14 -17.22 31.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.6 mt-30 -48.46 -48.75 66.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.98 -23.62 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.986 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.91 -49.75 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.1 tp -67.53 -34.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -58.44 -45.48 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 49.3 t -54.86 -47.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.646 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 22.2 m95 -52.08 -47.69 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 3.2 tm0? -56.99 -36.75 70.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -34.1 62.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 19' ' ' ILE . 9.1 mt -61.94 -54.73 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 56' ' ' PHE . 30.9 m -56.09 -41.75 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.11 -58.26 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.58 50.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -41.13 108.69 0.58 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.24 14.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.599 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.8 p-90 -80.35 -5.41 56.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.669 HD12 ' CD ' ' A' ' 94' ' ' PRO . 15.3 mt -109.12 -61.01 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.81 97.93 10.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -124.42 107.83 11.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -92.94 157.08 23.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.34 43.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.82 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.6 t 64.53 115.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -140.63 88.18 2.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.75 148.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -172.47 -171.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.11 -50.82 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 t 56.12 76.02 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -178.12 104.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.59 128.45 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.6 p -102.37 158.19 32.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 -45.53 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.721 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -52.87 -47.96 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -67.72 -40.06 84.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -62.12 -38.47 89.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 8' ' ' PRO . 14.7 p -74.0 -53.59 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.721 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.4 mm? -56.38 -34.13 66.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.29 -29.13 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -117.15 46.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 40.4 t-105 -55.23 -37.75 67.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 m -53.32 -39.65 64.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.78 -42.06 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.982 ' CD1' HD11 ' A' ' 89' ' ' LEU . 19.3 mm -65.43 -32.45 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -71.74 -25.75 62.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -47.79 14.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -47.98 -38.14 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.41 -48.35 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -46.55 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 84' ' ' THR . 61.2 mt -84.48 -5.78 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m 68.95 50.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.588 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.5 m -146.06 154.5 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.13 142.34 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.984 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.1 pt -143.07 162.74 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtpt -114.13 166.08 11.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 10.9 ttpp -93.3 -13.02 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.83 -50.08 5.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.1 t-105 -49.3 -40.29 34.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CD ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.69 -49.71 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 7.9 m -54.41 -51.7 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.0 m-85 -55.76 -31.83 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.21 12.76 36.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.01 -56.0 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.519 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -158.99 39.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.7 tp10 -116.7 -50.51 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.651 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 32.8 m0 -75.65 -44.27 4.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 107.964 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.6 7.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 41' ' ' SER . 7.0 p -112.94 16.21 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.1 m-30 -96.66 -19.82 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 48' ' ' VAL . 21.3 t0 74.72 89.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.927 HG11 HD11 ' A' ' 67' ' ' ILE . 4.4 m -161.44 -44.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.42 40.6 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -105.51 122.7 41.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.3 31.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 51.7 mm-40 -74.41 -16.95 60.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.17 178.37 33.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -161.2 145.98 13.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CE1' HD13 ' A' ' 97' ' ' ILE . 24.7 m-85 -101.76 42.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' HD12 ' A' ' 61' ' ' ILE . 44.6 t0 -100.35 130.09 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.8 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -72.7 -25.75 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -72.77 -51.36 19.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.03 -39.45 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.629 ' CD1' HG21 ' A' ' 90' ' ' VAL . 27.1 mt -58.17 -47.45 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.52 -34.51 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -61.8 -52.31 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.832 ' O ' HG13 ' A' ' 68' ' ' VAL . 10.2 t -65.43 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 6.1 tttt -64.57 -50.75 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.94 -25.45 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.927 HD11 HG11 ' A' ' 48' ' ' VAL . 69.4 mt -77.49 -52.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -66.21 -32.81 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 38.4 m-85 -94.91 36.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -88.03 -172.67 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.6 139.81 40.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.14 -175.07 20.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.66 14.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.95 -35.99 52.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.0 p -50.93 154.74 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.464 ' CE1' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 m80 -120.66 99.02 47.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.81 20.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -87.48 -37.73 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.01 -16.77 32.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 15.8 mt-30 -48.91 -49.0 70.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.5 Cg_endo -74.97 -22.3 15.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.984 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -77.78 -50.26 12.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.534 HG21 HG21 ' A' ' 68' ' ' VAL . 10.6 tp -65.31 -36.14 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.583 HG22 HD13 ' A' ' 26' ' ' LEU . 3.9 m -56.22 -50.68 70.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.745 HG11 HG23 ' A' ' 19' ' ' ILE . 20.4 t -54.6 -43.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.531 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 37.9 m95 -54.84 -44.24 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.507 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.7 tt0 -65.73 -42.14 91.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -63.27 -42.55 99.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 19' ' ' ILE . 3.5 mt -54.72 -54.39 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.8 ' HB ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -58.25 -58.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.0 mt-30 -37.99 -46.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' SER . 23.0 m-80 -119.97 51.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.6 p -36.56 117.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.649 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.95 172.89 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.59 13.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.616 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.4 p-90 -80.09 -1.87 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.899 HD13 ' CE1' ' A' ' 56' ' ' PHE . 19.3 mt -114.74 -62.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.13 126.65 41.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.77 -58.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.07 98.02 0.84 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.29 39.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 t 65.0 77.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.51 78.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.132 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.52 90.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.44 152.22 35.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.971 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -113.68 122.48 5.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.6 m 45.56 74.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.33 141.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.942 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.45 129.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.669 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.7 p -104.7 161.95 21.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -52.93 -48.32 67.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 -35.86 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 7' ' ' THR . 12.9 mt -68.35 -36.56 79.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -76.57 -54.29 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.5 mm? -54.03 -36.75 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -62.84 -41.4 99.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -104.41 42.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 39.2 t-105 -50.67 -36.92 38.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -46.6 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.45 88.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 89' ' ' LEU . 4.5 mm -61.18 -36.99 76.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 24.1 mtp85 -71.32 -31.08 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -46.05 77.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.0 mtt180 -59.63 -30.77 68.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -69.24 -41.11 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.58 -44.26 91.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.66 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 m 67.19 45.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.567 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 26.9 m -136.43 153.53 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.59 134.83 54.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.054 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.9 pt -140.1 154.9 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -109.08 166.9 10.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 2.4 ttmt -91.33 -15.04 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -79.28 -50.15 5.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.04 -37.07 2.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.641 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 19.0 t-105 -49.56 -44.28 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.64 -47.11 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.2 m -54.82 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 79' ' ' GLN . 9.0 m-85 -57.05 -22.47 39.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 t -113.01 14.19 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -98.97 -49.32 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -161.83 38.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.651 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.4 tp10 -118.09 -51.08 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.693 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 38.2 m0 -78.26 -42.56 2.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 3.08 5.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 41' ' ' SER . 11.0 p -120.64 21.78 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.2 m-30 -93.18 -9.96 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.8 73.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 67' ' ' ILE . 6.8 m -151.32 -59.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.628 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 153.25 41.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -105.1 123.53 39.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.16 31.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.42 2.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.64 ' CD ' HG21 ' A' ' 7' ' ' THR . 14.3 mm-40 -73.94 -13.14 60.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.63 177.68 38.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -160.77 147.44 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 31.0 m-85 -103.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.833 ' OD2' HG23 ' A' ' 60' ' ' VAL . 66.7 t0 -101.48 124.05 46.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -67.2 -25.73 66.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.8 m -74.52 -51.09 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.833 HG23 ' OD2' ' A' ' 57' ' ' ASP . 25.2 t -67.67 -41.35 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 90' ' ' VAL . 50.8 mt -56.66 -48.44 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.1 m-85 -57.53 -32.96 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.51 -52.25 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 68' ' ' VAL . 14.4 t -64.63 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 2.6 ttmt -64.84 -50.25 67.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.25 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.705 HD11 HG11 ' A' ' 48' ' ' VAL . 62.0 mt -75.7 -52.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -65.87 -35.55 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 31.6 m-85 -89.63 24.88 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 67' ' ' ILE . 12.0 pt20 -81.45 -171.18 3.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.27 167.05 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.37 -177.65 54.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.08 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.52 -30.26 66.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 p -54.26 160.86 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 0.758 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -128.71 96.51 29.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.1 17.63 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.617 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p30 -89.25 -36.23 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.486 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -88.23 -16.52 33.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.9 mt-30 -48.27 -48.64 64.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -21.68 15.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 1.054 ' CE1' HG22 ' A' ' 30' ' ' ILE . 7.2 m-85 -79.87 -49.77 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 68' ' ' VAL . 9.9 tp -66.53 -40.46 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -51.9 -52.14 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.519 HG11 HG23 ' A' ' 19' ' ' ILE . 43.1 t -55.67 -44.35 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.641 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.8 m95 -54.54 -39.68 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -68.98 -39.58 79.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -64.98 -38.06 89.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 19' ' ' ILE . 5.5 mt -54.97 -54.46 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.753 ' HB ' HD23 ' A' ' 58' ' ' LEU . 59.1 t -60.54 -57.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' VAL . 14.8 mt-30 -36.96 -54.79 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 19.2 m-80 -112.34 59.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ASN . 94.5 p -35.48 116.87 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.01 166.84 28.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -23.91 13.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 97' ' ' ILE . 67.0 p-90 -80.66 -6.34 58.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.0 mt -106.13 -61.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -144.61 114.78 7.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.7 p -90.8 92.16 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.34 161.35 29.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' SER . 18.4 Cg_endo -74.93 64.57 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.9 m 39.66 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 m -55.08 -58.63 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t 59.95 106.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.79 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.5 147.4 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.67 -114.6 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p -160.81 76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.022 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 p -149.13 157.84 43.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 124.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.668 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.1 p -98.98 163.05 19.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 13' ' ' LEU . 2.3 mt -52.53 -47.7 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -64.78 -40.12 94.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -65.7 -52.39 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -59.47 -53.11 61.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.811 HD11 HD22 ' A' ' 9' ' ' LEU . 7.7 mt -57.59 -41.54 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.86 -28.37 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -117.95 38.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 41.1 t-105 -47.92 -36.84 13.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -53.92 -41.44 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.93 -42.55 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.707 HG23 HG11 ' A' ' 85' ' ' VAL . 3.5 mm -64.91 -37.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 10.6 mtm180 -71.04 -29.11 64.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -43.19 61.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -61.77 -28.98 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -73.81 -39.34 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.17 96.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -30.75 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 HG22 ' A' ' 84' ' ' THR . 89.3 mt -87.05 -1.97 58.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m 62.23 50.58 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.586 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 17.5 m -144.88 148.38 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 138.04 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.2 pt -143.06 171.97 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -128.69 167.23 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' CE ' ' HB2' ' A' ' 16' ' ' TRP . 6.2 tttt -87.14 -38.92 15.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -55.89 -50.93 58.59 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.02 -42.64 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.65 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.4 t-105 -48.31 -36.98 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -76.69 -46.27 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -54.62 -52.69 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 14.2 m-85 -57.58 -23.88 53.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 9' ' ' LEU . 8.5 t -111.03 14.24 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.24 -50.36 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HG1' ' A' ' 45' ' ' THR . 0.2 OUTLIER -161.55 40.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.6 tp10 -121.75 -49.03 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.7 m0 -77.08 -45.17 2.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.01 1.59 7.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 41' ' ' SER . 2.3 p -116.03 21.02 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.678 ' CD2' HG21 ' A' ' 67' ' ' ILE . 3.8 m-30 -100.68 -5.8 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.608 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.7 t0 63.52 84.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 HD11 ' A' ' 67' ' ' ILE . 23.9 m -158.5 -46.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.54 42.4 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.2 t-105 -104.8 129.51 24.77 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.544 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.0 164.81 32.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.1 pt-20 -78.78 -12.8 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 95.76 174.49 36.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 8.1 t -157.2 138.51 13.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 97' ' ' ILE . 41.2 m-85 -90.89 41.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD2' HG23 ' A' ' 60' ' ' VAL . 49.8 t0 -106.08 102.63 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 11.3 tp -45.55 -38.96 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -54.16 -53.45 53.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 50' ' ' TRP . 88.6 t -67.15 -35.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 83' ' ' ILE . 41.5 mt -62.77 -51.82 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -30.87 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.47 -52.85 50.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.822 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.0 t -71.26 -35.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 22.7 ttmt -58.86 -58.33 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' GLN . . . -52.06 -36.51 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.835 HD11 HG11 ' A' ' 48' ' ' VAL . 25.0 mt -60.71 -53.13 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -70.22 -34.71 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 22.5 m-85 -88.56 11.91 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ALA . 5.1 pt20 -63.25 -171.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -104.04 165.71 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.33 -173.91 55.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.07 -30.37 67.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -57.19 149.13 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.0 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -116.98 96.71 49.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.569 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -5.81 17.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.665 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 81.3 m-20 -83.48 -39.42 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 55.7 mt-30 -88.18 -16.51 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 10.7 mt-30 -48.48 -48.48 67.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -21.14 16.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.1 m-85 -80.19 -49.42 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.523 HD11 HG23 ' A' ' 61' ' ' ILE . 5.7 tp -67.82 -34.87 70.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.62 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.35 -44.33 68.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 19' ' ' ILE . 43.3 t -62.69 -41.12 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.65 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 24.3 m95 -55.49 -52.85 62.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.2 -33.17 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.61 -32.72 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 19' ' ' ILE . 12.7 mt -63.12 -54.54 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.0 m -59.05 -45.77 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 90' ' ' VAL . 13.0 mm-40 -54.59 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.7 m-80 -95.28 51.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' ASN . 66.2 p -38.96 110.72 0.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.653 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 172.54 16.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.24 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.724 ' CH2' HD11 ' A' ' 97' ' ' ILE . 68.2 p-90 -79.52 -1.44 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.724 HD11 ' CH2' ' A' ' 96' ' ' TRP . 45.8 mt -117.77 -63.21 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.21 123.76 5.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.0 t -163.75 83.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.65 158.72 28.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -79.1 168.38 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t 64.26 150.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.1 m -117.92 171.03 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 164.39 16.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.37 159.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.966 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 44.75 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.59 125.4 5.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.1 p -102.26 162.52 20.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.97 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.8 tp -59.84 -44.33 94.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 t -63.17 -47.42 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 8.1 mt -59.97 -50.37 74.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' PRO . 4.7 p -54.74 -51.9 64.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.27 -42.58 98.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.57 -18.58 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -125.39 34.2 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 38.5 t-105 -47.86 -37.76 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -53.72 -45.37 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.75 -47.26 72.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 85' ' ' VAL . 5.2 mm -59.92 -35.54 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 33.4 mtm180 -71.39 -32.2 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -67.52 -47.72 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -55.61 -40.11 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -45.81 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.53 -26.59 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -87.7 -13.22 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 m 71.29 46.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 10.9 m -139.14 152.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.33 137.79 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.937 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.8 pt -141.86 158.22 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.62 167.13 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.8 ttpp -89.02 -36.85 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -57.02 -50.07 66.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.7 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 25.6 t-105 -49.57 -39.42 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -77.08 -49.2 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.6 m -55.18 -46.65 75.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 m-85 -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 39' ' ' CYS . 53.6 t -94.07 10.67 32.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -91.41 -63.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.598 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.33 37.09 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -116.03 -51.31 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 28.8 m0 -75.36 -44.31 4.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.99 1.6 7.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 41' ' ' SER . 12.5 p -112.81 14.1 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.9 m-30 -93.39 6.57 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 51.66 45.68 27.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -115.58 -21.94 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 4.48 20.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.634 ' HE3' HG12 ' A' ' 60' ' ' VAL . 21.1 t-105 -67.81 128.76 93.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 166.08 29.94 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -73.38 -32.22 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 118.72 170.77 14.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.422 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 14.7 t -161.78 148.06 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-85 -104.02 36.1 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -92.79 109.98 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' CG1' ' A' ' 90' ' ' VAL . 1.2 tp -49.02 -40.11 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.7 m -56.49 -50.3 72.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.634 HG12 ' HE3' ' A' ' 50' ' ' TRP . 39.1 t -69.93 -39.07 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 90' ' ' VAL . 33.3 mt -61.57 -53.36 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -53.75 -41.23 66.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' CB ' HG21 ' A' ' 48' ' ' VAL . 14.8 mm-40 -58.52 -52.75 64.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 68' ' ' VAL . 37.3 t -69.61 -35.28 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.0 tttt -61.96 -46.55 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.31 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 64' ' ' VAL . 85.6 mt -76.46 -39.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 64' ' ' VAL . 2.1 m -81.42 -26.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-85 -100.95 33.05 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.508 ' HB2' ' CA ' ' A' ' 75' ' ' SER . 12.6 mt-30 -65.2 -179.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -117.38 21.44 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.88 7.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.55 14.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 76' ' ' HIS . . . -80.28 -37.88 19.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.508 ' CA ' ' HB2' ' A' ' 70' ' ' GLN . 19.3 p -47.67 159.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.449 ' NE2' ' O ' ' A' ' 74' ' ' GLY . 8.2 m80 -132.31 102.68 14.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.611 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -89.58 -42.33 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 41.2 mt-30 -88.29 -16.76 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.3 mt-30 -48.68 -49.36 66.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.95 -22.11 15.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.937 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -78.33 -49.8 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 68' ' ' VAL . 5.7 tp -65.63 -38.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.539 HG22 HD13 ' A' ' 26' ' ' LEU . 1.8 m -47.23 -49.87 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 19' ' ' ILE . 84.7 t -62.84 -42.41 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.7 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 33.3 m95 -53.9 -45.96 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -48.23 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.66 -38.8 82.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.571 HD11 HD12 ' A' ' 19' ' ' ILE . 11.0 mt -55.02 -52.49 63.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG21 HD12 ' A' ' 61' ' ' ILE . 89.9 t -53.86 -56.23 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -46.12 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -91.39 64.11 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.7 p -49.19 114.09 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.761 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.03 166.39 29.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -23.8 13.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.614 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.3 p-90 -80.01 -8.15 59.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.039 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 94' ' ' PRO . 23.5 mt -108.32 -67.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -136.48 123.51 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.61 165.18 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 52.54 71.48 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 79.12 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 p -84.87 151.11 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t 62.06 143.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.0 m -156.02 166.46 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -168.06 169.83 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.58 145.16 8.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -128.33 70.27 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -170.38 150.29 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.72 122.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.7 p -104.44 162.88 18.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.02 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.583 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.11 -48.5 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -63.33 -44.7 94.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 7' ' ' THR . 12.1 mt -56.58 -47.6 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 2.3 p -63.64 -53.14 56.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.738 HD12 ' HD2' ' A' ' 32' ' ' LYS . 3.7 mm? -58.78 -36.57 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -117.39 39.89 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 40.3 t-105 -47.32 -36.92 10.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.7 m -53.81 -40.13 66.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -71.16 -44.8 64.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.26 -36.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.7 mtm105 -70.31 -30.88 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -39.54 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -68.49 -41.97 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -47.17 82.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -34.83 71.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 85' ' ' VAL . 41.0 mt -82.38 -0.4 45.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.8 t 54.72 47.1 23.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.927 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 13.1 m -140.58 157.79 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.84 138.83 53.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.959 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.9 pt -141.26 171.98 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -124.17 166.8 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.738 ' HD2' HD12 ' A' ' 13' ' ' LEU . 6.9 ttpp -92.09 -12.76 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.503 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.95 -50.56 4.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 -38.33 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.654 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.6 t-105 -49.04 -47.21 44.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -49.17 56.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 3.5 m -53.98 -52.82 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 12.7 m-85 -55.91 -30.05 61.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.8 t -103.83 14.25 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.18 -59.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.574 ' O ' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -151.92 35.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.6 tp10 -115.79 -50.08 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -76.57 -43.86 3.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.05 1.75 7.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.574 HG21 ' O ' ' A' ' 41' ' ' SER . 32.7 p -115.79 21.22 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.1 m-30 -100.59 -2.57 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER 58.93 81.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 6.2 m -152.86 -45.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.16 39.48 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.8 t-105 -105.39 123.57 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 167.31 27.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.18 13.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 7' ' ' THR . 73.6 mm-40 -83.93 -19.85 33.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.12 -178.89 32.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -166.27 146.04 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 52.3 m-85 -100.37 30.65 3.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -91.79 106.21 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.71 -37.85 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 m -58.1 -51.12 71.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG12 ' HE3' ' A' ' 50' ' ' TRP . 90.3 t -69.65 -35.11 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 90' ' ' VAL . 82.3 mt -65.36 -53.36 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.86 -24.98 17.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.04 -52.82 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.853 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.7 t -69.33 -38.63 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 83' ' ' ILE . 4.9 tttt -63.9 -49.97 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.04 33.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 48' ' ' VAL . 67.1 mt -79.29 -47.72 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -70.49 -34.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -94.81 38.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 74' ' ' GLY . 4.6 pt20 -92.86 165.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -104.97 13.19 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.56 -164.8 25.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -100.35 28.8 14.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.454 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 3.7 p -86.24 143.15 28.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 75' ' ' SER . 0.9 OUTLIER -137.71 93.94 12.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.551 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.79 17.22 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.636 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 m-20 -88.87 -38.99 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 10.8 mt-30 -87.99 -16.7 33.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.0 mt-30 -49.31 -49.0 73.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -75.04 -24.65 12.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.959 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.3 m-85 -73.02 -49.55 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.583 HD11 HG23 ' A' ' 61' ' ' ILE . 7.2 tp -68.81 -35.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.1 m -50.17 -45.78 53.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 57.3 t -63.15 -43.38 98.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.654 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 30.4 m95 -55.22 -52.34 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.22 -34.9 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -71.93 -37.63 69.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.577 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.65 -45.0 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.865 HG21 HD12 ' A' ' 61' ' ' ILE . 68.0 t -62.92 -53.48 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -54.04 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -90.65 66.79 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 p -50.47 115.9 6.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.539 ' HG3' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.01 165.48 31.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -23.71 13.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 97' ' ' ILE . 26.3 p-90 -80.48 -8.07 59.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt -104.6 -59.98 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -135.85 134.68 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 p -115.42 161.28 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.01 122.21 7.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 62.76 5.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -79.88 106.31 11.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 94.06 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.0 m 54.51 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.98 -60.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.83 -121.83 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.3 161.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 110.03 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -48.37 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.21 122.78 22.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.678 ' O ' HD12 ' A' ' 11' ' ' LEU . 35.6 p -100.61 161.18 24.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.384 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 1.014 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.98 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 13' ' ' LEU . 56.4 tp -56.33 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 -27.31 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 7' ' ' THR . 11.3 mt -74.0 -37.51 64.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.014 HG23 ' O ' ' A' ' 8' ' ' PRO . 31.3 p -73.23 -54.56 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 9' ' ' LEU . 4.1 mm? -54.74 -37.34 65.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.18 -26.35 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -121.51 43.13 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.7 t-105 -53.34 -37.98 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -53.53 -44.77 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 14.6 tp10 -66.65 -41.23 88.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.851 HG23 HG11 ' A' ' 85' ' ' VAL . 18.8 mm -66.39 -34.16 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -71.26 -27.02 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -47.07 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 8.9 mmt180 -52.12 -39.86 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -70.76 -34.25 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -45.64 81.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.71 -32.29 73.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 84' ' ' THR . 76.3 mt -83.18 -19.02 37.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.6 t 79.8 50.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.609 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.3 m -140.37 156.16 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.15 140.07 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.6 pt -143.7 168.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.7 mtmt -117.02 166.62 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 tttt -93.64 -12.67 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.69 -49.76 5.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -39.47 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 22.3 t-105 -48.82 -39.47 25.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ALA . 1.1 ttt180 -77.82 -49.35 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 16.9 m -54.77 -51.67 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.2 m-85 -54.65 -31.95 58.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.07 14.09 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.21 -47.44 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -166.52 37.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.8 tp10 -117.74 -48.34 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 25.4 m0 -75.23 -44.62 4.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 3.52 5.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.415 ' HG1' ' HA ' ' A' ' 42' ' ' GLU . 15.8 p -117.75 21.14 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 6.6 m-30 -100.62 -4.8 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.579 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.3 m-20 59.88 83.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG11 HD11 ' A' ' 67' ' ' ILE . 19.3 m -157.63 -45.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.65 41.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 42.3 t-105 -105.16 124.34 36.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.5 26.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.99 2.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.672 ' CD ' HG21 ' A' ' 7' ' ' THR . 22.3 mm-40 -76.34 -24.51 54.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 106.98 174.74 22.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -156.01 149.22 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 25.2 m-85 -107.93 39.37 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' HG23 ' A' ' 60' ' ' VAL . 46.7 t0 -97.49 107.08 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -45.63 -43.63 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -55.98 -53.41 57.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 57' ' ' ASP . 51.4 t -62.51 -42.54 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 HG11 ' A' ' 90' ' ' VAL . 50.7 mt -55.34 -38.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.86 -25.81 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -71.16 -51.29 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.876 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.8 t -74.42 -36.97 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.7 tttt -61.5 -47.14 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.08 -24.37 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.903 HD11 HG11 ' A' ' 48' ' ' VAL . 69.0 mt -79.96 -38.9 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -79.31 -29.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' LYS . 15.5 m-85 -99.6 26.7 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.521 ' HB2' ' CA ' ' A' ' 75' ' ' SER . 61.1 mt-30 -50.65 -178.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -119.58 19.84 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.7 -162.68 9.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.466 ' O ' ' CD2' ' A' ' 76' ' ' HIS . . . -80.8 -36.81 21.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.521 ' CA ' ' HB2' ' A' ' 70' ' ' GLN . 94.5 p -42.29 164.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 74' ' ' GLY . 5.3 m80 -131.83 100.7 15.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.16 16.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -90.73 -39.99 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 54.5 mt-30 -88.05 -16.82 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.1 mt-30 -49.0 -49.11 70.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.67 15.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.903 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.2 m-85 -78.92 -49.07 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.678 HG21 HG21 ' A' ' 68' ' ' VAL . 6.7 tp -66.09 -37.32 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 26' ' ' LEU . 4.7 m -50.0 -44.82 51.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -64.26 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 47.9 m95 -57.85 -46.97 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -59.42 -36.47 75.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.34 -32.74 62.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 19' ' ' ILE . 15.1 mt -61.16 -54.1 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 61' ' ' ILE . 13.5 m -64.98 -49.51 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 90' ' ' VAL . 12.5 mm-40 -49.48 -49.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 33.7 m-80 -113.46 60.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 57.9 p -37.44 115.17 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 166.36 29.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.73 12.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 54.3 p-90 -80.27 -8.41 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt -103.8 -62.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.2 OUTLIER 39.77 65.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.52 130.88 11.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 157.53 89.31 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.74 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -146.89 138.59 24.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 m 61.9 83.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t 60.04 83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -94.6 93.72 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.79 66.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 p -102.6 145.88 28.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -142.17 78.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.73 -141.13 4.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 110.996 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 2.4 p -63.32 162.34 25.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 12' ' ' THR . 18.2 Cg_endo -74.98 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.806 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.3 -47.89 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -48.94 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 97' ' ' ILE . 12.8 mt -55.56 -45.13 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 8' ' ' PRO . 15.9 p -62.7 -54.55 37.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 9' ' ' LEU . 2.8 mm? -56.88 -47.48 80.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.5 -23.5 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -123.32 43.18 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 41.0 t-105 -54.22 -37.16 64.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -53.95 -41.78 68.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.4 tp10 -69.6 -39.45 77.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.867 ' CD1' HD11 ' A' ' 89' ' ' LEU . 15.6 mm -67.3 -35.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -71.6 -25.68 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -43.95 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.67 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.9 mmt180 -59.32 -31.57 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -75.06 -35.84 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.42 -46.34 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -71.4 -29.52 65.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 HG22 ' A' ' 84' ' ' THR . 80.4 mt -85.61 -0.97 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t 56.72 55.25 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.536 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 m -145.62 148.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -110.51 135.73 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.919 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.4 pt -141.71 163.16 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.61 165.74 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 4.8 tttm -93.77 -12.43 29.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.52 -49.99 5.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.567 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 13.0 t-105 -49.26 -39.87 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -49.04 26.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 m -55.75 -51.5 67.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 13.3 m-85 -56.5 -32.77 65.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.65 11.93 36.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.98 -66.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.6 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -146.87 39.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 5.1 tp10 -115.82 -50.35 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 33.6 m0 -77.29 -43.97 2.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.6 HG21 ' O ' ' A' ' 41' ' ' SER . 16.6 p -113.23 21.33 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 7.4 m-30 -101.94 -11.37 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.4 m-20 63.96 78.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.771 HG23 ' H ' ' A' ' 49' ' ' GLY . 2.3 m -150.97 -68.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.771 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 176.31 33.54 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -106.25 116.17 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -0.72 10.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -116.65 -9.42 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.29 167.28 41.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.572 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -152.44 148.98 28.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.417 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 26.4 m-85 -101.43 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -108.92 110.84 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.533 HD21 ' HG2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -55.84 -28.91 58.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.9 m -63.48 -54.46 36.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -68.66 -43.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.799 ' CD1' HG11 ' A' ' 90' ' ' VAL . 59.1 mt -53.94 -38.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -67.91 -25.98 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.81 -52.17 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.754 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.5 t -64.35 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.5 ttmt -61.07 -53.09 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.08 -37.12 43.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 64' ' ' VAL . 41.7 mt -63.1 -53.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -67.79 -26.55 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -99.89 28.82 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.91 -172.45 3.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.17 142.7 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 -176.36 24.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.3 15.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.73 -30.53 61.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -58.13 166.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -129.84 97.74 23.31 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -86.14 -40.13 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -87.6 -16.75 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.4 mt-30 -49.09 -49.55 68.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -22.72 14.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.919 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.1 m-85 -75.85 -50.23 15.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 79' ' ' GLN . 9.1 tp -66.95 -32.14 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.698 HG22 HD13 ' A' ' 26' ' ' LEU . 2.1 m -53.29 -45.03 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HG23 ' A' ' 19' ' ' ILE . 25.9 t -64.16 -43.32 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.567 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 44.3 m95 -53.19 -51.2 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -55.07 -37.02 66.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -73.27 -35.6 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.867 HD11 ' CD1' ' A' ' 19' ' ' ILE . 10.1 mt -58.51 -54.58 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 61' ' ' ILE . 23.6 m -63.86 -47.92 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 14.6 mm-40 -47.98 -55.41 10.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' SER . 35.7 m-80 -107.68 59.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' ASN . 59.6 p -35.99 113.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.08 167.0 27.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.04 13.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 62.2 p-90 -81.01 -7.01 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt -105.89 -62.75 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -146.93 120.51 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.6 t -124.31 112.47 17.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.85 170.45 55.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.85 4.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.52 102.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -109.36 124.03 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.84 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.2 -59.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.35 -87.37 0.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.08 166.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -68.38 -59.53 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.73 126.68 13.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.9 p -100.61 160.58 26.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.96 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -52.35 -48.5 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -41.99 90.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 11.2 mt -57.87 -48.14 80.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' PRO . 39.0 p -63.3 -54.56 35.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.9 mm? -54.38 -47.93 72.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -53.58 -25.49 17.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CE1' ' CB ' ' A' ' 96' ' ' TRP . 11.1 m80 -122.81 48.73 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CH2' ' O ' ' A' ' 31' ' ' LYS . 44.4 t-105 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -53.74 -48.79 69.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.0 tp10 -60.74 -43.94 97.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.705 HD12 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -64.43 -39.57 86.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 14.4 mtm180 -71.22 -28.25 64.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -49.36 46.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.7 mmt180 -55.7 -30.69 61.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -63.85 -40.34 96.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -41.06 87.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -70.17 -29.31 66.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 84' ' ' THR . 89.0 mt -93.31 -8.06 43.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.3 m 64.33 53.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.84 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.6 m -144.03 152.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.36 135.75 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.024 HG22 ' CE1' ' A' ' 82' ' ' TYR . 12.5 pt -142.05 163.08 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -113.22 166.9 11.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.1 ttpm? -91.9 -13.78 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.97 -50.88 4.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.698 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 16.2 t-105 -48.15 -37.25 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.1 -47.01 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.5 m -54.68 -51.89 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 m-85 -57.49 -30.98 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.82 14.51 31.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.74 -64.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 45' ' ' THR . 13.7 t -147.34 38.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.7 tp10 -116.67 -49.24 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.659 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 31.6 m0 -77.3 -44.26 2.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.0 1.5 7.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.605 HG21 ' OG ' ' A' ' 41' ' ' SER . 2.6 p -110.88 17.25 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.6 m-30 -98.55 -15.42 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.867 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 70.1 95.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -169.08 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.759 ' O ' HG21 ' A' ' 60' ' ' VAL . . . -174.94 33.15 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -105.1 112.62 65.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.11 9.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.553 ' CD ' HG21 ' A' ' 7' ' ' THR . 7.7 mm-40 -116.19 -12.38 11.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.52 176.08 44.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.638 HG22 HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -161.61 145.05 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 38.7 m-85 -95.61 44.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' THR . 50.8 t0 -104.91 101.7 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.6 tp -48.64 -27.24 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -62.56 -53.85 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -70.21 -41.24 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.762 ' CD1' HG11 ' A' ' 90' ' ' VAL . 72.1 mt -54.17 -48.63 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -54.74 -33.88 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 2.1 mm-40 -68.96 -52.18 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.6 t -65.27 -39.2 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 5.0 tttt -66.88 -51.21 58.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.01 -24.37 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 64' ' ' VAL . 68.1 mt -78.72 -53.54 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -65.57 -35.07 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 15.2 m-85 -94.05 31.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 8.3 pt20 -87.34 -170.08 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -108.93 147.59 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . 100.27 -177.9 28.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.37 16.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.57 -25.94 64.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 72' ' ' GLY . 3.4 p -65.67 157.3 30.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -122.97 95.58 46.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.16 17.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 19.1 m-20 -85.03 -37.77 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 83' ' ' ILE . 46.7 mt-30 -88.01 -16.03 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 19.4 mt-30 -47.93 -48.78 61.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.01 16.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 1.024 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -79.98 -49.7 11.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.595 HG21 HG21 ' A' ' 68' ' ' VAL . 6.5 tp -69.24 -34.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 26' ' ' LEU . 1.3 m -53.56 -44.5 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 19' ' ' ILE . 46.2 t -63.02 -37.32 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.698 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 25.8 m95 -61.2 -48.72 80.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.9 -33.99 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -29.03 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.705 HD11 HD12 ' A' ' 19' ' ' ILE . 10.7 mt -65.93 -54.57 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.9 m -57.2 -45.27 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -55.77 -67.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -91.96 62.7 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -40.76 114.24 1.09 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -74.99 164.8 32.65 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.24 13.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.582 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 57.5 p-90 -80.79 -10.18 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 mt -100.07 -57.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 123.6 36.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m -104.51 -45.59 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.46 -93.98 2.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 m -145.17 137.15 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.6 99.96 12.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 t -138.95 143.2 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.04 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.51 157.62 46.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.048 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.3 -162.39 33.57 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -147.36 80.52 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.05 110.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.8 146.27 6.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.8 p -135.91 163.56 49.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 13' ' ' LEU . 20.7 tp -56.26 -45.95 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -67.89 -38.83 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 7' ' ' THR . 12.8 mt -66.66 -47.95 70.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.7 p -58.24 -48.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 9' ' ' LEU . 16.6 mt -66.69 -33.95 76.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.37 -34.87 79.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -113.53 41.34 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -51.53 -37.95 51.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -53.37 -40.05 64.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 26.8 tt0 -73.88 -41.55 62.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.862 HG23 HG11 ' A' ' 85' ' ' VAL . 19.8 mm -64.21 -33.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -71.45 -27.57 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -49.79 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 10.7 mtt-85 -52.26 -40.51 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -46.63 79.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -35.25 80.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 HG22 ' A' ' 84' ' ' THR . 92.6 mt -79.59 -17.87 52.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t 76.86 46.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 1.6 m -141.88 153.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.47 135.08 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.93 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.3 pt -139.38 164.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -120.08 166.77 12.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 2.7 tttm -91.43 -24.6 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -68.66 -49.8 40.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 -40.23 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.6 t-105 -49.18 -37.34 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -74.85 -49.05 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -56.13 -51.55 67.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.576 ' CE1' ' NE2' ' A' ' 79' ' ' GLN . 16.9 m-85 -59.39 -27.77 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.1 t -106.01 14.86 27.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 36' ' ' ARG . . . -99.11 -60.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.577 ' O ' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -151.43 38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.3 tp10 -116.3 -51.07 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.5 m0 -76.97 -44.15 2.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.92 7.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 41' ' ' SER . 23.9 p -114.7 19.98 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-30 -103.45 -18.83 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.868 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER 72.88 95.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -168.4 -56.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.958 ' O ' HG21 ' A' ' 60' ' ' VAL . . . 161.61 36.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -107.68 116.3 57.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.05 169.18 23.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -114.14 -7.6 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 88.22 169.25 44.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.621 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -155.83 146.22 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.665 ' O ' HG12 ' A' ' 90' ' ' VAL . 19.9 m-85 -99.74 49.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -109.82 107.05 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 5.3 tp -51.22 -27.21 8.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.7 m -62.43 -54.59 37.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -70.51 -40.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.704 HD12 HG11 ' A' ' 90' ' ' VAL . 50.2 mt -54.69 -49.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.1 -34.89 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -52.22 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.824 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 t -61.38 -40.52 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 5.1 tttt -63.96 -50.75 67.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.15 43.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.6 HG21 ' CD2' ' A' ' 46' ' ' PHE . 68.2 mt -76.9 -49.88 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -68.76 -34.8 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 29.5 m-85 -89.3 33.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' OE1' ' CA ' ' A' ' 74' ' ' GLY . 5.1 pt20 -83.7 164.84 19.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.01 19.64 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.59 -172.75 22.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.546 1.813 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -96.97 19.25 55.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 p -77.44 149.55 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 1.6 m80 -136.26 94.28 14.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.551 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.55 19.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.6 OUTLIER -87.5 -36.36 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.576 ' NE2' ' CE1' ' A' ' 38' ' ' PHE . 1.4 mp0 -88.19 -17.12 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 6.1 mt-30 -49.7 -48.75 76.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -23.09 14.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.93 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -76.71 -50.08 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . 8.3 tp -63.32 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.492 HG22 HD13 ' A' ' 26' ' ' LEU . 46.1 m -59.08 -51.62 69.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.862 HG11 HG23 ' A' ' 19' ' ' ILE . 94.6 t -54.7 -47.46 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.634 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 31.6 m95 -51.25 -50.09 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.029 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -55.11 -33.3 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.3 -32.31 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -62.81 -46.9 85.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 61' ' ' ILE . 24.6 m -65.06 -41.65 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -64.52 -71.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.5 76.15 9.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p -53.58 111.17 2.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.831 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.03 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.24 13.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 97' ' ' ILE . 10.3 p-90 -80.32 -8.11 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.831 HD12 ' CG ' ' A' ' 94' ' ' PRO . 9.8 mt -107.29 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.72 127.04 9.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.67 137.93 45.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.76 171.75 40.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.66 12.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -111.43 -57.92 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -150.34 93.52 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 148.13 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -62.34 -50.79 70.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.66 -113.68 0.58 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m 59.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.964 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.555 ' HA ' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.91 148.75 25.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.456 ' H ' HD11 ' A' ' 11' ' ' LEU . . . -171.33 -137.73 2.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -70.27 166.02 38.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 110.39 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 -44.58 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.4 tp -66.33 -39.65 89.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t -71.84 -39.26 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 5' ' ' SER . 17.6 mt -64.58 -49.33 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.1 p -58.81 -38.68 79.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 47.0 mt -70.21 -43.86 69.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -57.23 -35.59 69.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -110.81 40.18 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 41.8 t-105 -49.5 -38.32 29.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.034 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.7 m -53.29 -35.57 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 10.9 tt0 -76.38 -40.56 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.573 HG23 HG11 ' A' ' 85' ' ' VAL . 13.3 mm -65.96 -35.85 76.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.8 mtm180 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.16 -43.4 28.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -54.93 -32.25 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.12 -41.59 49.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -47.42 78.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -30.34 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 84' ' ' THR . 43.6 mt -86.76 0.77 54.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.0 m 58.48 45.43 16.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.619 HG23 ' HB1' ' A' ' 23' ' ' ALA . 31.1 m -137.64 157.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -120.08 141.29 49.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.955 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.5 pt -144.12 166.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -121.97 168.02 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.1 ttpp -86.2 -41.17 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -54.32 -50.34 56.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.601 1.188 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.1 Cg_endo -75.02 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 15.3 t-105 -48.96 -39.87 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.51 -48.64 18.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.6 m -54.08 -52.21 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 9.2 m-85 -57.48 -31.11 65.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.84 16.79 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -101.24 -65.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' HG21 ' A' ' 45' ' ' THR . 9.1 t -141.82 32.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.618 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 tp10 -115.99 -51.02 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.701 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.2 m0 -77.06 -42.28 2.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.037 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.08 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.81 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.421 HG21 ' OG ' ' A' ' 41' ' ' SER . 33.2 p -120.68 22.53 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.6 m-30 -97.22 16.11 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 42.54 59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.54 -44.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 39.92 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.642 ' HE3' HG12 ' A' ' 60' ' ' VAL . 10.5 t-105 -103.92 125.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.56 3.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.2 -20.28 60.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 100.06 -179.59 29.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -162.98 140.34 7.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 38.5 m-85 -94.57 33.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -94.27 107.62 19.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.4 tp -47.58 -39.07 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.2 m -53.89 -52.88 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.642 HG12 ' HE3' ' A' ' 50' ' ' TRP . 41.4 t -68.42 -43.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 90' ' ' VAL . 74.2 mt -56.84 -52.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -53.39 -36.73 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' CB ' HG21 ' A' ' 48' ' ' VAL . 61.8 mm-40 -65.07 -52.8 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 68' ' ' VAL . 15.6 t -66.77 -41.16 87.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.9 tttt -62.48 -53.68 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.89 -35.32 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 64' ' ' VAL . 36.7 mt -61.66 -50.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -72.39 -34.62 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 22.6 m-85 -89.79 25.44 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.65 -171.99 3.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -108.98 143.6 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.93 -174.98 21.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.7 -31.84 48.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -55.01 143.01 27.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 79' ' ' GLN . 1.8 m80 -113.31 98.86 47.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -6.08 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.638 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.4 m-20 -83.24 -40.01 20.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 9.4 mt-30 -88.1 -16.8 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt-30 -48.8 -48.59 70.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.955 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.5 m-85 -76.24 -49.77 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 86' ' ' TRP . 8.7 tp -70.04 -35.67 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.662 HG22 HD13 ' A' ' 26' ' ' LEU . 2.7 m -51.31 -42.94 61.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.573 HG11 HG23 ' A' ' 19' ' ' ILE . 25.3 t -66.28 -37.89 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 18.9 m95 -59.12 -48.69 80.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -33.96 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.76 -38.26 70.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -54.86 -43.89 73.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 61' ' ' ILE . 21.9 t -65.01 -54.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -46.68 -71.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -90.6 85.29 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.0 p -62.98 111.75 5.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.822 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.93 168.0 25.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 97' ' ' ILE . 41.3 p-90 -80.53 -5.55 56.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.822 HD12 ' CG ' ' A' ' 94' ' ' PRO . 16.5 mt -111.71 -72.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 41.01 66.3 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 p -43.93 147.64 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.41 163.92 29.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.77 20.85 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.748 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -174.79 163.44 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t 60.81 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.6 p -177.91 142.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -157.9 165.68 34.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.58 -178.33 17.65 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 m -85.03 165.64 17.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -42.72 118.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.57 127.0 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.7 p -117.38 162.78 26.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 13' ' ' LEU . 15.4 tp -53.92 -42.39 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -70.75 -46.18 63.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 7' ' ' THR . 18.6 mt -57.4 -42.06 81.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -66.29 -54.38 25.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 9' ' ' LEU . 65.0 mt -57.99 -43.1 86.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.05 -19.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.34 37.86 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.532 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 43.3 t-105 -48.35 -37.9 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -53.44 -41.86 66.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -69.9 -45.66 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.785 HG23 HG11 ' A' ' 85' ' ' VAL . 4.8 mm -61.67 -33.97 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -71.06 -32.16 68.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -44.03 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -56.9 -33.81 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.91 -41.71 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.15 99.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.51 -35.62 73.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD13 HG22 ' A' ' 84' ' ' THR . 89.2 mt -80.65 -9.19 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m 65.96 42.41 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.945 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.6 m -140.83 152.35 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' ILE . 3.3 tp10 -112.36 140.89 46.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.8 pt -141.28 162.75 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -114.93 166.26 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 6.8 tttt -92.01 -13.51 30.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.61 -50.36 5.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -74.97 -38.3 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 16.3 t-105 -49.68 -38.9 34.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ALA . 6.1 ttp180 -76.59 -49.34 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -52.28 62.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 79' ' ' GLN . 11.1 m-85 -58.7 -29.34 66.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -104.62 16.27 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -100.05 -59.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.589 ' O ' HG21 ' A' ' 45' ' ' THR . 41.6 t -152.23 37.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 3.5 tp10 -117.06 -49.4 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.1 m0 -77.36 -43.65 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 108.038 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 3.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 41' ' ' SER . 6.1 p -111.85 12.76 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.1 m-30 -95.66 -4.08 44.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.83 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER 57.22 93.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.83 HG13 ' O ' ' A' ' 47' ' ' ASP . 2.0 m -164.51 -71.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.805 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 178.35 33.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 24.6 t-105 -106.41 114.23 62.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 171.41 18.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.73 8.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 7.6 mp0 -115.98 -11.12 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.465 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.36 176.11 44.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.744 ' CG2' HG11 ' A' ' 60' ' ' VAL . 13.2 t -160.78 157.72 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 40.2 m-85 -108.24 47.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 60' ' ' VAL . 33.4 t0 -109.1 106.74 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 87' ' ' GLN . 4.2 tp -52.37 -28.31 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -61.19 -53.08 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.744 HG11 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.71 -40.77 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG11 ' A' ' 90' ' ' VAL . 46.9 mt -54.63 -49.58 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -34.23 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.29 -51.67 35.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 68' ' ' VAL . 25.3 t -65.42 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 5.3 tttt -65.07 -50.46 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.75 33.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 64' ' ' VAL . 62.1 mt -75.36 -51.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.88 -28.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 30.2 m-85 -97.95 28.15 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -82.7 -169.66 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -103.31 160.76 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.5 -173.72 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.0 13.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.41 -37.74 69.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 p -49.41 153.47 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -122.27 100.27 42.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.98 -9.8 20.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.9 t0 -87.67 -38.47 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.569 ' HG2' ' CD2' ' A' ' 38' ' ' PHE . 30.4 mt-30 -88.01 -16.79 32.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 13.0 mt-30 -48.74 -49.12 68.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.58 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.96 -23.22 14.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -76.61 -49.84 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 68' ' ' VAL . 10.9 tp -66.77 -25.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -65.94 -51.06 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.785 HG11 HG23 ' A' ' 19' ' ' ILE . 98.4 t -54.73 -40.33 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.579 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 22.2 m95 -61.49 -37.21 82.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 90' ' ' VAL . 2.6 tt0 -68.53 -37.31 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 9.1 t0 -74.76 -29.02 60.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 19' ' ' ILE . 11.1 mt -64.94 -53.24 49.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.62 HG11 ' CD1' ' A' ' 61' ' ' ILE . 35.5 m -58.74 -43.62 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.93 -65.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' SER . 51.6 m-80 -87.59 54.14 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 77.7 p -37.02 112.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.99 164.9 32.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -23.34 13.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 61.9 p-90 -80.41 -10.93 59.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt -99.33 -57.0 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.85 -170.78 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.04 -51.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.97 94.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -126.44 -57.79 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 m -137.06 161.08 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.957 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.01 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -167.37 162.65 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.92 164.85 14.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 m 62.56 153.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -58.19 161.72 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.53 126.84 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.9 p -109.49 162.0 21.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -49.67 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.451 1.764 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 39' ' ' CYS . 24.6 tp -58.37 -41.47 84.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -66.36 -44.09 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 7' ' ' THR . 17.5 mt -61.35 -41.26 96.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 1.6 p -66.63 -50.57 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 32' ' ' LYS . 48.9 mt -59.03 -46.1 89.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.55 -31.23 56.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -115.69 38.28 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' NE ' ' A' ' 20' ' ' ARG . 43.4 t-105 -48.82 -37.73 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.58 -42.26 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.82 -45.56 67.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.739 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.82 -36.72 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.5 mtm180 -71.27 -28.56 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -49.37 54.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -54.14 -39.58 66.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -58.77 -42.53 89.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -45.84 89.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.3 -34.89 79.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -80.65 -15.63 56.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 t 74.69 43.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.056 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.562 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 29.6 m -137.25 158.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.96 136.37 54.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.913 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.7 pt -140.92 168.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -121.0 166.62 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.554 ' HG3' HD22 ' A' ' 13' ' ' LEU . 13.6 tttp -91.96 -21.74 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -71.49 -50.05 22.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -75.02 -38.83 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.437 1.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.0 t-105 -49.32 -39.36 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -77.3 -49.69 14.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 5.6 m -54.6 -52.28 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.5 m-85 -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.5 t -104.68 14.98 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.62 -47.33 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.95 38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.6 tp10 -119.31 -47.44 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 19.1 m0 -75.23 -44.33 4.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.5 5.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 p -115.48 21.44 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-30 -99.81 -18.65 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.738 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.0 t0 76.0 87.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.876 HG11 HD11 ' A' ' 67' ' ' ILE . 1.6 m -161.55 -44.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.81 40.73 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.668 ' HE3' HG12 ' A' ' 60' ' ' VAL . 20.7 t-105 -105.08 127.58 28.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 168.79 24.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.26 5.55 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.81 -25.54 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.06 175.52 22.8 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -155.99 145.23 20.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 35.9 m-85 -97.73 47.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -112.8 106.88 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -45.8 -41.1 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -54.8 -48.36 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.668 HG12 ' HE3' ' A' ' 50' ' ' TRP . 79.6 t -70.22 -33.6 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 83' ' ' ILE . 58.8 mt -65.72 -52.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -25.55 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.99 -52.27 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.765 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.5 t -72.11 -37.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 3.8 ttmt -60.79 -53.31 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.43 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.876 HD11 HG11 ' A' ' 48' ' ' VAL . 43.0 mt -65.77 -52.27 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.1 -35.48 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 80' ' ' GLN . 15.5 m-85 -84.76 8.5 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.82 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.59 147.94 35.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.04 -173.25 21.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.34 15.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.89 -20.66 64.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 p -65.3 145.85 55.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -117.83 95.26 47.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.448 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -10.36 21.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t70 -82.2 -35.96 27.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.649 ' O ' HG22 ' A' ' 83' ' ' ILE . 40.2 mt-30 -88.32 -17.1 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.61 ' OE1' ' CE2' ' A' ' 69' ' ' PHE . 9.3 mt-30 -49.04 -48.14 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -24.01 13.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.913 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.7 m-85 -75.66 -49.35 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 79' ' ' GLN . 5.1 tp -70.11 -35.08 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.457 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -53.12 -42.28 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.739 HG11 HG23 ' A' ' 19' ' ' ILE . 39.0 t -64.71 -43.39 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.631 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 10.9 m95 -51.43 -49.54 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.0 -31.87 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.54 -29.0 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.714 HD21 HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -66.78 -52.52 43.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 61' ' ' ILE . 32.8 m -64.66 -33.2 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -70.32 -68.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 71.2 m-20 -87.63 56.62 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.5 p -37.59 111.47 0.56 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.807 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.02 168.16 25.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -24.21 12.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.634 ' CE3' HG13 ' A' ' 97' ' ' ILE . 13.9 p-90 -80.11 -5.2 55.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.807 HD12 ' CG ' ' A' ' 94' ' ' PRO . 28.6 mt -113.32 -70.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.21 138.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 m -123.34 128.7 50.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -66.43 122.72 21.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 89.05 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.3 p -135.15 141.23 45.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -169.12 161.84 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -58.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 123.74 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.16 94.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t -131.02 -49.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.87 112.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.98 110.92 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.62 160.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 12' ' ' THR . 18.1 Cg_endo -75.05 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 13' ' ' LEU . 8.9 tp -70.42 -36.62 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' ASP . 8.1 t -76.87 -48.15 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -53.07 -56.25 17.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 8' ' ' PRO . 41.5 p -51.94 -44.75 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.2 mm? -68.78 -34.43 75.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' SER . 1.5 m-20 -78.03 -6.99 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -134.66 35.22 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.604 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CH2' HG13 ' A' ' 30' ' ' ILE . 47.0 t-105 -48.43 -38.77 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.9 m -53.33 -44.1 68.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 34.0 tt0 -68.36 -45.87 71.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.844 HG23 HG11 ' A' ' 85' ' ' VAL . 5.0 mm -60.43 -36.39 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtm105 -70.25 -30.14 67.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -47.3 69.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 7.9 mtt-85 -59.71 -35.38 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.17 -34.87 71.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -67.46 -46.65 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.32 -30.22 70.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 84' ' ' THR . 87.4 mt -87.49 -12.76 45.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 67.85 56.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.629 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 7.8 m -144.35 145.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.21 138.44 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.8 pt -142.45 161.56 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.42 166.37 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.74 -17.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.504 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -75.43 -49.96 8.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 -38.53 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CH2' HG21 ' A' ' 19' ' ' ILE . 7.9 t-105 -49.43 -46.64 47.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -70.25 -49.54 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 8.5 m -54.44 -51.98 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.6 m-85 -56.85 -28.79 62.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -105.44 13.65 29.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.34 -57.28 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.17 38.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.627 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -117.48 -50.09 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.661 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.0 m0 -76.76 -44.02 3.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.03 1.59 7.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.5 p -119.0 21.25 12.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.5 m-30 -97.48 -17.66 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.681 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 77.43 83.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.752 HG11 HD11 ' A' ' 67' ' ' ILE . 6.9 m -159.4 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 143.79 44.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.572 ' HE3' HG12 ' A' ' 60' ' ' VAL . 39.2 t-105 -103.98 126.13 32.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.98 164.09 34.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -72.81 -29.25 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 51' ' ' PRO . . . 114.4 174.43 18.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -162.8 149.89 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 33.1 m-85 -110.86 36.16 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.588 ' OD2' HG23 ' A' ' 60' ' ' VAL . 54.9 t0 -93.2 109.37 20.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.3 tp -46.83 -44.35 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -54.35 -43.77 71.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.588 HG23 ' OD2' ' A' ' 57' ' ' ASP . 86.9 t -75.39 -39.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.882 HD12 HG21 ' A' ' 90' ' ' VAL . 58.3 mt -62.55 -53.63 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.48 -27.83 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.58 -52.46 21.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.884 ' O ' HG13 ' A' ' 68' ' ' VAL . 8.0 t -70.91 -39.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 5.2 tttt -59.31 -48.94 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.87 64.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.752 HD11 HG11 ' A' ' 48' ' ' VAL . 65.7 mt -77.73 -40.52 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.884 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -78.23 -29.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.7 m-85 -96.7 33.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 74' ' ' GLY . 5.1 pt20 -86.55 171.33 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -112.55 19.42 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.57 -164.46 20.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.28 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -100.26 24.53 31.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 p -82.66 145.75 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.584 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 1.7 m-70 -142.34 92.84 7.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.6 18.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.623 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 t0 -86.16 -37.45 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.23 -17.68 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 9.5 mt-30 -49.66 -48.61 76.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.93 -23.88 13.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.908 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -75.12 -50.44 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 86' ' ' TRP . 6.9 tp -66.22 -32.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.735 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.54 -45.82 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.844 HG11 HG23 ' A' ' 19' ' ' ILE . 75.2 t -62.8 -41.66 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.618 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 27.2 m95 -56.4 -47.49 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.84 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -59.25 -36.53 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 19' ' ' ILE . 8.0 mt -58.21 -49.77 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.882 HG21 HD12 ' A' ' 61' ' ' ILE . 48.3 t -56.42 -45.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.58 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.2 m-80 -86.43 55.43 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 6.8 p -37.15 113.5 0.63 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.554 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -75.01 166.3 29.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.99 12.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.638 ' CE3' HG13 ' A' ' 97' ' ' ILE . 30.5 p-90 -80.24 -8.75 59.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 mt -104.65 -64.13 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -137.75 148.24 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.4 p -139.88 121.24 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.15 100.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 t -152.01 88.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -159.53 119.85 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.655 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.3 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.95 -46.26 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -54.77 -41.56 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -41.4 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' THR . 10.8 mt -62.81 -38.55 91.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.4 p -72.52 -54.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD22 ' HG3' ' A' ' 32' ' ' LYS . 57.2 mt -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.98 -38.52 91.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.484 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 39.6 m-70 -107.1 39.03 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.62 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.504 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.8 t-105 -47.68 -37.36 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -54.09 -41.99 68.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -68.86 -42.39 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 19' ' ' ILE . 2.3 mm -62.02 -37.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 30.1 mtm105 -71.25 -31.8 67.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -45.85 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -60.5 -29.97 69.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -72.32 -40.58 67.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.18 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.28 -28.02 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.89 -12.6 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t 72.9 44.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.0 m -137.59 160.17 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 141.16 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.991 HG22 ' CE1' ' A' ' 82' ' ' TYR . 6.2 pt -144.31 162.67 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -113.06 166.09 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -92.69 -13.09 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.75 -50.17 5.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -74.95 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 10.8 t-105 -49.23 -38.9 28.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.3 m -54.82 -52.24 63.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 10.7 m-85 -58.36 -29.26 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.93 14.5 31.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.47 -60.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -152.27 36.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.3 tp10 -115.73 -50.64 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.2 m0 -75.91 -43.79 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 1.75 7.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 41' ' ' SER . 71.7 p -118.92 16.09 13.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.4 m-30 -91.7 -18.89 23.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.592 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.9 t70 78.27 84.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -159.94 -45.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.47 41.0 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.621 ' HE3' HG12 ' A' ' 60' ' ' VAL . 16.5 t-105 -104.45 125.5 33.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.01 163.18 35.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.65 16.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 6.3 mp0 -87.73 -25.7 23.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.2 172.67 21.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.435 HG21 HG11 ' A' ' 60' ' ' VAL . 14.3 t -163.14 142.44 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 37.8 m-85 -99.25 38.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -99.83 109.44 21.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.401 HD13 ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -46.72 -37.19 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -58.9 -51.52 69.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.621 HG12 ' HE3' ' A' ' 50' ' ' TRP . 86.6 t -68.82 -33.3 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG21 ' A' ' 90' ' ' VAL . 57.4 mt -66.63 -53.59 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.51 -25.96 40.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 67' ' ' ILE . 3.5 mm-40 -67.28 -52.23 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 t -67.72 -40.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 -35.37 78.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.71 55.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.3 mt -65.61 -41.74 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' A' ' 76' ' ' HIS . 5.9 t -60.21 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 26.8 m-85 -90.31 41.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' HB2' HG13 ' A' ' 68' ' ' VAL . 98.7 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.1 21.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.6 m-20 -89.3 -37.29 15.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 29.2 mt-30 -88.11 -17.35 31.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.2 mt-30 -49.16 -48.52 73.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.96 -23.14 14.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.991 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -77.14 -49.84 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' GLN . 10.9 tp -68.46 -29.77 45.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -59.61 -52.68 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.578 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -54.75 -45.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 21.4 m95 -53.23 -37.82 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.74 -41.63 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -37.22 86.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 86' ' ' TRP . 7.0 mt -56.47 -54.5 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 61' ' ' ILE . 85.4 t -50.7 -65.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -39.96 -67.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -90.07 71.76 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -55.19 114.62 7.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.45 13.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 66.2 p-90 -80.3 -10.54 59.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 11' ' ' LEU . 5.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.55 -48.8 68.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -64.56 -46.01 84.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 7' ' ' THR . 13.6 mt -55.68 -51.15 68.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -31.66 72.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.84 -42.73 60.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.54 -36.22 77.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.476 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 54.4 m-70 -107.66 36.68 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CH2' HG13 ' A' ' 30' ' ' ILE . 38.8 t-105 -48.02 -36.38 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -54.82 -45.32 74.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.05 -41.05 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.643 HD12 HD11 ' A' ' 89' ' ' LEU . 6.3 mm -66.43 -35.79 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 40.7 mtm180 -71.59 -26.6 62.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -47.75 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -55.87 -31.23 62.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.01 -37.99 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -42.19 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -36.35 82.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.52 -18.64 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 t 78.0 50.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.651 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 5.9 m -142.7 154.81 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 139.73 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.964 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.1 pt -143.3 157.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 6.2 mmpt? -110.09 165.64 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 5.0 tttt -92.77 -11.53 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.7 -50.83 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.3 t-105 -49.67 -38.96 34.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -49.4 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -55.46 -48.35 74.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.4 m-85 -56.61 -40.69 75.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 t -89.01 8.96 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -89.98 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.49 40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 2.9 tp10 -117.9 -49.37 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.2 m0 -75.54 -44.36 4.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.1 Cg_endo -75.05 1.46 7.74 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 41' ' ' SER . 1.9 p -112.19 20.22 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CZ ' ' NE2' ' A' ' 76' ' ' HIS . 8.8 m-30 -101.35 -17.78 16.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 74.63 89.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' ASP . 6.7 m -160.84 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.31 41.07 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 60' ' ' VAL . 17.9 t-105 -104.44 126.51 31.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.01 163.43 35.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.57 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -75.77 -16.38 60.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.4 174.44 31.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.534 HG21 HG11 ' A' ' 60' ' ' VAL . 8.7 t -160.8 153.43 20.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.713 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.8 m-85 -110.27 41.31 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -104.36 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.4 -43.28 11.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 m -55.25 -50.1 70.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 50' ' ' TRP . 55.2 t -68.12 -32.21 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 90' ' ' VAL . 75.0 mt -68.98 -52.51 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.74 -27.8 30.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.7 mm-40 -64.3 -53.01 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.63 -39.04 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 9.4 tttt -58.1 -37.32 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.84 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -65.86 -42.53 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' HIS . 15.4 t -59.18 -51.21 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 24.3 m-85 -91.54 42.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.646 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 46.5 m-70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.81 16.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.619 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 26.3 t0 -82.68 -33.52 27.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.04 -17.34 31.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 11.7 mt-30 -49.44 -48.82 74.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.04 -24.0 13.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.964 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -74.56 -50.11 19.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.4 tp -65.69 -34.9 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -54.41 -51.26 65.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.574 HG11 HG23 ' A' ' 19' ' ' ILE . 85.9 t -57.68 -43.97 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.655 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 33.1 m95 -53.53 -44.91 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.34 -47.66 83.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.38 -40.41 74.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 HD12 ' A' ' 19' ' ' ILE . 6.5 mt -55.26 -54.47 43.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.799 HG21 HD12 ' A' ' 61' ' ' ILE . 75.0 t -51.48 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -43.96 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -92.47 65.82 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 p -49.09 117.58 6.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.57 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 165.02 32.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.52 13.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 58.7 p-90 -80.51 -9.38 59.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.713 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.733 HG21 ' OE1' ' A' ' 53' ' ' GLU . 40.2 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 13' ' ' LEU . 46.9 tp -53.12 -46.48 68.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -65.59 -45.9 81.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 8.9 mt -59.48 -45.1 92.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -63.36 -49.96 71.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.5 -46.74 87.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.79 -22.3 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.7 m-70 -122.97 41.77 3.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 40.7 t-105 -51.31 -36.32 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -54.27 -46.26 72.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.46 -41.17 96.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.779 HD12 HD11 ' A' ' 89' ' ' LEU . 5.5 mm -66.89 -36.57 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.53 -28.08 63.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.5 m -74.09 -48.72 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -54.03 -33.47 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.18 -33.68 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -41.09 85.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -28.14 62.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 84' ' ' THR . 95.0 mt -88.44 -8.8 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m 65.6 51.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.612 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 6.5 m -144.57 151.39 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.72 143.64 44.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.95 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.4 pt -144.1 168.32 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -117.79 166.09 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE3' ' CD1' ' A' ' 16' ' ' TRP . 3.9 ttmt -93.49 -12.52 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.35 -50.12 5.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 29.4 t-105 -49.69 -39.36 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -77.51 -49.83 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.8 m -54.49 -50.66 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.9 m-85 -55.69 -33.83 64.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -100.03 12.78 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 108.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.58 -55.62 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -159.01 38.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 4.1 tp10 -116.4 -49.99 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.8 m0 -76.16 -44.52 3.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 41' ' ' SER . 5.5 p -110.53 19.64 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.5 m-30 -102.65 6.16 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.62 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 49' ' ' GLY . 11.7 m -151.68 -59.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 154.0 40.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 32.0 t-105 -105.58 125.55 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 165.09 31.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.04 2.76 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.733 ' OE1' HG21 ' A' ' 7' ' ' THR . 54.0 mm-40 -76.76 -21.98 54.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 105.17 174.71 24.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.5 t -157.49 140.71 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 23.1 m-85 -97.33 43.03 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.02 132.48 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.33 -25.35 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.0 m -74.39 -52.57 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.53 -36.23 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.821 HD12 HG21 ' A' ' 90' ' ' VAL . 25.7 mt -61.75 -45.25 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.4 m-85 -60.93 -33.33 72.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 67' ' ' ILE . 52.8 mt-10 -58.38 -52.16 66.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.9 t -68.14 -34.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -64.19 -36.89 85.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.68 55.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.1 mt -66.02 -41.0 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.3 t -60.93 -47.13 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 18.9 m-85 -96.04 48.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.459 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.4 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.662 ' HB2' HG13 ' A' ' 68' ' ' VAL . 80.0 m-70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.0 -17.1 19.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 3.4 m-20 -88.26 -35.95 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 49.1 mt-30 -88.29 -17.45 30.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt-30 -49.24 -48.31 74.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.0 -23.22 14.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.95 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.78 -49.05 16.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 83' ' ' ILE . 10.8 tp -67.94 -37.47 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 HD13 ' A' ' 26' ' ' LEU . 16.6 m -53.28 -50.88 63.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.709 HG11 HG23 ' A' ' 19' ' ' ILE . 76.7 t -54.48 -45.78 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.728 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.9 m95 -52.65 -44.1 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -59.85 -44.3 94.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.55 -38.44 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 19' ' ' ILE . 12.2 mt -56.86 -52.24 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 61' ' ' ILE . 98.3 t -64.72 -57.96 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' VAL . 3.1 mt-30 -37.87 -54.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' SER . 11.0 m-80 -112.47 63.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' ASN . 54.0 p -38.46 116.96 0.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.572 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.5 Cg_endo -74.92 166.4 29.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -24.45 12.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 97' ' ' ILE . 63.9 p-90 -80.19 -7.76 59.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.681 ' O ' HD12 ' A' ' 11' ' ' LEU . 14.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -46.29 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.883 HD22 HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -53.43 -47.49 69.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -65.41 -42.52 92.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 10.0 mt -60.33 -48.96 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -65.03 -54.58 28.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.883 HD11 HD22 ' A' ' 9' ' ' LEU . 11.4 mt -54.35 -28.74 44.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -76.22 -27.03 56.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.7 m-70 -117.8 42.28 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CH2' HG13 ' A' ' 30' ' ' ILE . 46.8 t-105 -49.86 -34.54 20.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -46.02 75.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.85 -42.99 97.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.99 HG23 HG11 ' A' ' 85' ' ' VAL . 24.6 mm -62.33 -43.58 98.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -68.33 -26.19 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -49.18 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.458 HH21 HD23 ' A' ' 89' ' ' LEU . 8.9 mtt-85 -60.34 -37.17 79.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -68.22 -36.64 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -45.88 82.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -27.63 67.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 84' ' ' THR . 96.0 mt -88.16 -10.42 50.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 69.93 48.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG23 ' HB1' ' A' ' 23' ' ' ALA . 12.7 m -139.38 151.33 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -113.27 131.86 55.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.933 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.1 pt -136.86 156.93 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 mtmt -115.15 166.84 11.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -89.15 -32.6 17.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -61.32 -50.85 62.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.98 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.494 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.9 t-105 -48.97 -42.09 36.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -73.08 -48.99 31.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.8 m -54.7 -52.55 62.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 11.5 m-85 -57.64 -28.84 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.9 t -102.26 12.05 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.2 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.554 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -143.75 37.03 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.5 tp10 -115.15 -51.68 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 41.8 m0 -77.43 -43.31 2.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.04 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.554 HG21 ' O ' ' A' ' 41' ' ' SER . 38.8 p -116.81 21.67 13.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.451 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.9 m-30 -101.92 1.89 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 98.3 m-20 55.54 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 47' ' ' ASP . 14.1 m -157.76 -52.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 141.67 42.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.511 ' HE3' HG12 ' A' ' 60' ' ' VAL . 15.5 t-105 -105.21 125.59 33.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 163.32 35.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.21 2.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.3 mp0 -74.82 -12.75 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.87 176.06 36.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 60' ' ' VAL . 14.1 t -159.56 152.1 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 31.3 m-85 -109.29 39.69 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -105.35 109.79 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -45.62 -39.77 8.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -57.08 -51.38 69.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 55' ' ' THR . 98.6 t -67.9 -30.35 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 90' ' ' VAL . 73.8 mt -70.0 -53.55 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.81 -25.14 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt-10 -66.24 -52.51 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -68.48 -44.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 4.0 tttt -54.14 -36.95 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.36 -53.64 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -66.46 -43.83 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.715 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.7 t -57.54 -52.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 11.5 m-85 -87.85 41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.715 ' HB2' HG13 ' A' ' 68' ' ' VAL . 57.8 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.07 16.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -84.09 -36.59 22.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.572 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -88.12 -17.66 30.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.7 mt-30 -49.3 -48.77 73.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.1 Cg_endo -75.04 -26.96 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.933 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -69.9 -50.18 44.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.79 -33.79 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 26' ' ' LEU . 1.1 m -56.55 -46.78 80.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.99 HG11 HG23 ' A' ' 19' ' ' ILE . 17.2 t -54.98 -46.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.494 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 72.1 m95 -52.02 -49.87 62.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -55.08 -52.21 63.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.75 -42.01 78.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD11 HD12 ' A' ' 19' ' ' ILE . 6.7 mt -54.85 -54.26 44.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.836 HG21 HD12 ' A' ' 61' ' ' ILE . 89.6 t -50.26 -55.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -47.73 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -91.42 71.67 6.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 p -57.46 109.81 2.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.75 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.04 165.97 30.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.2 14.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.65 ' O ' HD22 ' A' ' 11' ' ' LEU . 66.5 p-90 -80.0 -9.65 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.761 HD11 HD22 ' A' ' 89' ' ' LEU . 18.3 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.673 ' O ' HD12 ' A' ' 11' ' ' LEU . 12.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.65 -46.4 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -66.9 -42.56 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 7' ' ' THR . 9.9 mt -60.36 -38.31 83.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -74.19 -48.62 27.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 36' ' ' ARG . 61.8 mt -61.83 -45.26 94.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.95 -43.14 66.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.412 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 61.7 m-70 -102.67 38.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 38.8 t-105 -47.77 -37.95 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 m -53.46 -41.24 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 tt0 -71.14 -50.04 37.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.642 HG21 ' CH2' ' A' ' 35' ' ' TRP . 3.4 mm -55.9 -36.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtp85 -67.01 -33.9 76.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -69.69 -39.15 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -58.23 -32.92 68.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -73.79 -33.72 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -44.58 87.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -27.1 63.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.834 ' O ' HG13 ' A' ' 28' ' ' VAL . 24.7 mt -93.26 14.5 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t 41.91 50.46 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 26' ' ' LEU . 29.8 m -137.72 163.32 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -124.0 136.52 54.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.993 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.4 pt -140.7 173.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -129.55 166.95 18.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 8.6 tttt -91.55 -21.44 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -72.17 -50.5 16.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.05 -38.02 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CH2' HG21 ' A' ' 19' ' ' ILE . 17.1 t-105 -49.1 -39.27 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 1.4 ttt85 -77.52 -49.4 14.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.5 m -54.68 -52.75 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.8 m-85 -56.69 -30.51 63.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 t -102.38 13.64 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.68 -58.35 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -154.09 36.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.5 tp10 -116.27 -48.22 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 27.9 m0 -78.37 -43.82 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 107.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.466 HG21 ' O ' ' A' ' 41' ' ' SER . 68.6 p -120.15 16.66 12.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 1.7 m-30 -90.23 -3.41 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.655 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.4 m-20 61.84 82.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -159.76 -59.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.503 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 152.56 41.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 14.9 t-105 -105.46 123.67 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.03 165.04 32.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -25.37 12.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -85.69 -20.97 28.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 102.13 173.9 27.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HG11 ' A' ' 60' ' ' VAL . 14.0 t -160.82 140.37 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 41.8 m-85 -94.43 30.53 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.873 ' OD2' HG23 ' A' ' 60' ' ' VAL . 26.7 t0 -93.78 109.2 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tp -46.47 -40.66 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -56.72 -52.9 63.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.873 HG23 ' OD2' ' A' ' 57' ' ' ASP . 49.9 t -67.18 -30.25 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 90' ' ' VAL . 92.5 mt -69.74 -53.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.99 -26.39 36.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.0 mm-40 -62.72 -52.37 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.2 t -69.44 -40.25 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.18 -37.64 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.27 -53.24 60.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.2 mt -66.59 -45.38 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' HB2' ' A' ' 76' ' ' HIS . 11.7 t -56.1 -51.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 13.7 m-85 -89.78 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.743 ' HB2' HG13 ' A' ' 68' ' ' VAL . 4.1 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.69 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.616 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 32.0 m-20 -87.99 -39.99 14.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 11.9 mt-30 -87.99 -17.19 31.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.4 mt-30 -48.56 -48.69 67.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -74.99 -24.25 13.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.993 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.3 m-85 -75.33 -49.11 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 tp -71.0 -31.26 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -59.54 -51.77 68.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.577 HG11 HG23 ' A' ' 19' ' ' ILE . 24.2 t -54.86 -43.99 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.615 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 8.1 m95 -51.57 -48.81 63.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -55.12 -31.83 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.96 -40.51 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -54.74 -42.21 71.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 61' ' ' ILE . 98.7 t -68.54 -54.89 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -92.17 76.78 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 p -53.4 114.17 5.77 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.518 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.98 165.25 31.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.72 13.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 97' ' ' ILE . 20.3 p-90 -80.63 -8.87 59.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 11' ' ' LEU . 10.2 p . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . 18.2 Cg_endo -75.01 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.01 -47.32 71.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -69.87 -35.47 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 7' ' ' THR . 8.3 mt -64.54 -43.36 94.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 p -68.39 -52.32 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.932 HD11 HD22 ' A' ' 9' ' ' LEU . 4.9 mt -55.61 -47.25 76.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.5 -22.26 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.544 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 56.5 m-70 -128.51 42.05 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.9 t-105 -49.14 -35.47 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -45.63 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.23 -45.95 78.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.683 HG23 HG11 ' A' ' 85' ' ' VAL . 3.3 mm -61.36 -37.52 77.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 12.9 mtm180 -71.48 -31.04 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -44.25 82.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -59.9 -32.83 71.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.07 -41.89 97.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -40.57 92.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -34.32 70.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.78 -10.12 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 68.62 41.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.867 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 14.4 m -139.5 151.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -111.91 141.34 45.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.974 HG22 ' CE1' ' A' ' 82' ' ' TYR . 17.1 pt -142.86 169.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -123.48 166.46 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -90.12 -22.72 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -70.66 -50.54 24.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.3 Cg_endo -75.01 -37.85 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.643 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.7 t-105 -49.43 -38.84 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -78.02 -48.15 16.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -54.76 -52.88 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 8.9 m-85 -57.06 -26.65 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.639 ' HB3' HD11 ' A' ' 9' ' ' LEU . 5.9 t -107.65 14.3 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.78 -53.92 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -157.52 34.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -116.28 -49.59 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CD1' HG11 ' A' ' 64' ' ' VAL . 24.9 m0 -75.83 -44.81 4.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 1.68 7.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' SER . 35.0 p -115.95 21.48 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.04 -7.5 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.746 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 63.23 88.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -164.29 -43.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.57 40.58 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.83 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.9 t-105 -105.08 123.18 40.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -74.98 166.3 29.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -35.61 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 16.6 mp0 -75.71 -11.43 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.96 177.53 42.22 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.605 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -160.46 149.73 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.749 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 19.9 m-85 -102.75 30.42 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HB3' HG23 ' A' ' 60' ' ' VAL . 55.0 t0 -97.46 109.28 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.94 -38.79 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 m -56.64 -44.36 81.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 50' ' ' TRP . 36.4 t -75.01 -33.33 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 HG21 ' A' ' 90' ' ' VAL . 60.2 mt -67.47 -53.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -53.75 -27.86 31.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.2 mt-10 -65.71 -52.9 47.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.687 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.8 t -67.27 -37.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -63.35 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.59 56.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 46' ' ' PHE . 3.1 mt -66.24 -41.85 89.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 76' ' ' HIS . 24.4 t -59.77 -53.54 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 44.2 m-85 -86.74 43.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.585 ' HB2' HG13 ' A' ' 68' ' ' VAL . 95.9 m-70 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.56 20.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 7.1 m-20 -89.89 -41.84 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 4.2 mp0 -88.45 -17.71 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 6.5 mt-30 -49.41 -48.4 75.1 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.05 -22.63 14.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.974 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -78.32 -49.75 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.0 tp -65.5 -33.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.2 m -58.97 -49.66 77.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.683 HG11 HG23 ' A' ' 19' ' ' ILE . 81.6 t -54.49 -46.85 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.643 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 17.5 m95 -53.18 -48.62 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -54.69 -34.13 61.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.15 -37.47 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -57.35 -39.02 75.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.788 HG21 HD12 ' A' ' 61' ' ' ILE . 48.6 t -72.22 -47.48 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.29 -66.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -93.57 81.98 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 115.71 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.53 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.05 164.94 32.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.66 13.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CE3' HG13 ' A' ' 97' ' ' ILE . 15.6 p-90 -80.42 -9.49 59.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.749 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 4.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.814 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.02 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.1 tp -56.61 -38.98 72.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -69.54 -51.31 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 7' ' ' THR . 6.5 mt -55.88 -53.08 61.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 8' ' ' PRO . 51.0 p -52.6 -54.05 38.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 32' ' ' LYS . 82.5 mt -57.14 -43.12 82.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.24 -23.15 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.439 ' CD2' ' CD2' ' A' ' 96' ' ' TRP . 22.2 m-70 -121.91 38.2 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -48.79 -37.59 19.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -44.01 69.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.1 -43.6 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 89' ' ' LEU . 4.9 mm -63.31 -34.35 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 34.4 mtm180 -71.24 -28.67 64.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -48.41 62.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.548 HH21 HD23 ' A' ' 89' ' ' LEU . 8.6 mtt-85 -55.55 -34.02 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -67.63 -41.23 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.77 -46.66 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.59 -30.76 71.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.69 -0.58 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t 56.65 49.49 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.628 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.2 m -138.17 151.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.35 128.79 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.986 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.4 pt -132.67 165.12 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -122.95 167.19 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD22 ' A' ' 13' ' ' LEU . 5.0 ttmt -88.25 -37.3 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -56.95 -50.28 65.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 18.1 t-105 -49.55 -39.48 34.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 108.009 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -77.62 -50.22 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -54.79 -52.05 63.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.3 m-85 -55.04 -36.07 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 t -95.37 11.59 32.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -92.52 -60.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.533 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -153.83 38.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 tp10 -119.14 -45.17 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 16.9 m0 -78.31 -43.85 2.12 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 3.59 5.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 41' ' ' SER . 2.5 p -109.66 21.16 17.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 13.0 m-85 -94.08 -15.15 25.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.83 64.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' H ' ' A' ' 49' ' ' GLY . 5.2 m -137.57 -61.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 156.82 41.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.0 t-105 -104.87 126.45 31.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 164.41 33.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.7 -24.42 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.76 172.6 22.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -158.48 146.14 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 97' ' ' ILE . 29.3 m-85 -101.58 36.16 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -102.16 103.38 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 9.1 tp -45.34 -30.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.9 m -60.87 -49.58 76.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' HE3' ' A' ' 50' ' ' TRP . 97.3 t -69.85 -32.65 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 90' ' ' VAL . 21.1 mt -64.8 -53.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -26.07 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.1 mm-40 -68.88 -52.4 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 68' ' ' VAL . 19.2 t -70.87 -34.35 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.601 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 4.5 ttmt -65.9 -41.86 90.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.51 -51.19 60.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.4 mt -69.7 -48.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.904 HG13 ' HB2' ' A' ' 76' ' ' HIS . 39.7 t -52.54 -44.55 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 35.5 m-85 -93.78 36.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.567 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.904 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.25 21.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.609 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -88.52 -39.05 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 9.9 mt-30 -88.14 -17.22 31.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.6 mt-30 -48.46 -48.75 66.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.98 -23.62 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.986 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.91 -49.75 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.1 tp -67.53 -34.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -58.44 -45.48 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 49.3 t -54.86 -47.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.646 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 22.2 m95 -52.08 -47.69 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 3.2 tm0? -56.99 -36.75 70.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -34.1 62.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 19' ' ' ILE . 9.1 mt -61.94 -54.73 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 56' ' ' PHE . 30.9 m -56.09 -41.75 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.11 -58.26 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.58 50.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -41.13 108.69 0.58 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.24 14.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.599 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.8 p-90 -80.35 -5.41 56.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.669 HD12 ' CD ' ' A' ' 94' ' ' PRO . 15.3 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.6 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 -45.53 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.721 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -52.87 -47.96 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -67.72 -40.06 84.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -62.12 -38.47 89.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 8' ' ' PRO . 14.7 p -74.0 -53.59 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.721 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.4 mm? -56.38 -34.13 66.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.29 -29.13 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.457 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.7 m-70 -117.15 46.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 40.4 t-105 -55.23 -37.75 67.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 m -53.32 -39.65 64.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.78 -42.06 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.982 ' CD1' HD11 ' A' ' 89' ' ' LEU . 19.3 mm -65.43 -32.45 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -71.74 -25.75 62.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -47.79 14.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -47.98 -38.14 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.41 -48.35 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -46.55 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 84' ' ' THR . 61.2 mt -84.48 -5.78 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m 68.95 50.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.588 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.5 m -146.06 154.5 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.13 142.34 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.984 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.1 pt -143.07 162.74 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtpt -114.13 166.08 11.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 10.9 ttpp -93.3 -13.02 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.83 -50.08 5.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.1 t-105 -49.3 -40.29 34.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CD ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.69 -49.71 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 7.9 m -54.41 -51.7 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.0 m-85 -55.76 -31.83 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.21 12.76 36.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.01 -56.0 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.519 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -158.99 39.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.7 tp10 -116.7 -50.51 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.651 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 32.8 m0 -75.65 -44.27 4.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 107.964 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.6 7.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 41' ' ' SER . 7.0 p -112.94 16.21 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.1 m-30 -96.66 -19.82 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 48' ' ' VAL . 21.3 t0 74.72 89.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.927 HG11 HD11 ' A' ' 67' ' ' ILE . 4.4 m -161.44 -44.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.42 40.6 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -105.51 122.7 41.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.3 31.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 51.7 mm-40 -74.41 -16.95 60.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.17 178.37 33.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -161.2 145.98 13.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CE1' HD13 ' A' ' 97' ' ' ILE . 24.7 m-85 -101.76 42.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' HD12 ' A' ' 61' ' ' ILE . 44.6 t0 -100.35 130.09 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.8 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -72.7 -25.75 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -72.77 -51.36 19.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.03 -39.45 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.629 ' CD1' HG21 ' A' ' 90' ' ' VAL . 27.1 mt -58.17 -47.45 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.52 -34.51 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -61.8 -52.31 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.832 ' O ' HG13 ' A' ' 68' ' ' VAL . 10.2 t -65.43 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 6.1 tttt -64.57 -50.75 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.94 -25.45 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.927 HD11 HG11 ' A' ' 48' ' ' VAL . 69.4 mt -77.49 -52.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -66.21 -32.81 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 38.4 m-85 -94.91 36.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.609 ' HD2' HG12 ' A' ' 68' ' ' VAL . 9.2 m-70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.81 20.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -87.48 -37.73 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.01 -16.77 32.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 15.8 mt-30 -48.91 -49.0 70.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.5 Cg_endo -74.97 -22.3 15.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.984 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -77.78 -50.26 12.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.534 HG21 HG21 ' A' ' 68' ' ' VAL . 10.6 tp -65.31 -36.14 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.583 HG22 HD13 ' A' ' 26' ' ' LEU . 3.9 m -56.22 -50.68 70.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.745 HG11 HG23 ' A' ' 19' ' ' ILE . 20.4 t -54.6 -43.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.531 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 37.9 m95 -54.84 -44.24 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.507 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.7 tt0 -65.73 -42.14 91.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -63.27 -42.55 99.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 19' ' ' ILE . 3.5 mt -54.72 -54.39 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.8 ' HB ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -58.25 -58.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.0 mt-30 -37.99 -46.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' SER . 23.0 m-80 -119.97 51.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.6 p -36.56 117.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.649 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.95 172.89 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.59 13.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.616 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.4 p-90 -80.09 -1.87 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.899 HD13 ' CE1' ' A' ' 56' ' ' PHE . 19.3 mt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.669 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.631 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -52.93 -48.32 67.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 -35.86 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 7' ' ' THR . 12.9 mt -68.35 -36.56 79.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -76.57 -54.29 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.5 mm? -54.03 -36.75 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -62.84 -41.4 99.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.522 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 42.7 m-70 -104.41 42.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 39.2 t-105 -50.67 -36.92 38.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -46.6 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.45 88.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 89' ' ' LEU . 4.5 mm -61.18 -36.99 76.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 24.1 mtp85 -71.32 -31.08 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -46.05 77.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.0 mtt180 -59.63 -30.77 68.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -69.24 -41.11 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.58 -44.26 91.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.66 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 m 67.19 45.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.567 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 26.9 m -136.43 153.53 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.59 134.83 54.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.054 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.9 pt -140.1 154.9 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -109.08 166.9 10.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 2.4 ttmt -91.33 -15.04 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -79.28 -50.15 5.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.04 -37.07 2.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.641 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 19.0 t-105 -49.56 -44.28 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.64 -47.11 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.2 m -54.82 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 79' ' ' GLN . 9.0 m-85 -57.05 -22.47 39.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 t -113.01 14.19 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -98.97 -49.32 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -161.83 38.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.651 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.4 tp10 -118.09 -51.08 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.693 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 38.2 m0 -78.26 -42.56 2.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 3.08 5.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 41' ' ' SER . 11.0 p -120.64 21.78 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.2 m-30 -93.18 -9.96 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.8 73.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 67' ' ' ILE . 6.8 m -151.32 -59.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.628 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 153.25 41.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -105.1 123.53 39.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.16 31.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.42 2.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.64 ' CD ' HG21 ' A' ' 7' ' ' THR . 14.3 mm-40 -73.94 -13.14 60.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.63 177.68 38.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -160.77 147.44 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 31.0 m-85 -103.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.833 ' OD2' HG23 ' A' ' 60' ' ' VAL . 66.7 t0 -101.48 124.05 46.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -67.2 -25.73 66.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.8 m -74.52 -51.09 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.833 HG23 ' OD2' ' A' ' 57' ' ' ASP . 25.2 t -67.67 -41.35 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 90' ' ' VAL . 50.8 mt -56.66 -48.44 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.1 m-85 -57.53 -32.96 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.51 -52.25 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 68' ' ' VAL . 14.4 t -64.63 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 2.6 ttmt -64.84 -50.25 67.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.25 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.705 HD11 HG11 ' A' ' 48' ' ' VAL . 62.0 mt -75.7 -52.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -65.87 -35.55 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 31.6 m-85 -89.63 24.88 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 67' ' ' ILE . 12.0 pt20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.618 ' HD2' HG12 ' A' ' 68' ' ' VAL . 5.9 m-70 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.1 17.63 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.617 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p30 -89.25 -36.23 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.486 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -88.23 -16.52 33.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.9 mt-30 -48.27 -48.64 64.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -21.68 15.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 1.054 ' CE1' HG22 ' A' ' 30' ' ' ILE . 7.2 m-85 -79.87 -49.77 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 68' ' ' VAL . 9.9 tp -66.53 -40.46 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -51.9 -52.14 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.519 HG11 HG23 ' A' ' 19' ' ' ILE . 43.1 t -55.67 -44.35 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.641 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.8 m95 -54.54 -39.68 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -68.98 -39.58 79.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -64.98 -38.06 89.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 19' ' ' ILE . 5.5 mt -54.97 -54.46 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.753 ' HB ' HD23 ' A' ' 58' ' ' LEU . 59.1 t -60.54 -57.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' VAL . 14.8 mt-30 -36.96 -54.79 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 19.2 m-80 -112.34 59.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ASN . 94.5 p -35.48 116.87 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.01 166.84 28.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -23.91 13.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 97' ' ' ILE . 67.0 p-90 -80.66 -6.34 58.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.668 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 13' ' ' LEU . 2.3 mt -52.53 -47.7 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -64.78 -40.12 94.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -65.7 -52.39 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -59.47 -53.11 61.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.811 HD11 HD22 ' A' ' 9' ' ' LEU . 7.7 mt -57.59 -41.54 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.86 -28.37 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.532 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.4 m-70 -117.95 38.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 41.1 t-105 -47.92 -36.84 13.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -53.92 -41.44 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.93 -42.55 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.707 HG23 HG11 ' A' ' 85' ' ' VAL . 3.5 mm -64.91 -37.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 10.6 mtm180 -71.04 -29.11 64.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -43.19 61.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -61.77 -28.98 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -73.81 -39.34 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.17 96.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -30.75 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 HG22 ' A' ' 84' ' ' THR . 89.3 mt -87.05 -1.97 58.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m 62.23 50.58 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.586 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 17.5 m -144.88 148.38 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 138.04 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.2 pt -143.06 171.97 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -128.69 167.23 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' CE ' ' HB2' ' A' ' 16' ' ' TRP . 6.2 tttt -87.14 -38.92 15.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -55.89 -50.93 58.59 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.02 -42.64 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.65 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.4 t-105 -48.31 -36.98 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -76.69 -46.27 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -54.62 -52.69 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 14.2 m-85 -57.58 -23.88 53.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 9' ' ' LEU . 8.5 t -111.03 14.24 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.24 -50.36 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HG1' ' A' ' 45' ' ' THR . 0.2 OUTLIER -161.55 40.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.6 tp10 -121.75 -49.03 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.7 m0 -77.08 -45.17 2.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.01 1.59 7.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 41' ' ' SER . 2.3 p -116.03 21.02 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.678 ' CD2' HG21 ' A' ' 67' ' ' ILE . 3.8 m-30 -100.68 -5.8 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.608 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.7 t0 63.52 84.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 HD11 ' A' ' 67' ' ' ILE . 23.9 m -158.5 -46.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.54 42.4 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.2 t-105 -104.8 129.51 24.77 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.544 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.0 164.81 32.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.1 pt-20 -78.78 -12.8 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 95.76 174.49 36.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 8.1 t -157.2 138.51 13.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 97' ' ' ILE . 41.2 m-85 -90.89 41.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD2' HG23 ' A' ' 60' ' ' VAL . 49.8 t0 -106.08 102.63 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 11.3 tp -45.55 -38.96 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -54.16 -53.45 53.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 50' ' ' TRP . 88.6 t -67.15 -35.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 83' ' ' ILE . 41.5 mt -62.77 -51.82 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -30.87 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.47 -52.85 50.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.822 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.0 t -71.26 -35.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 22.7 ttmt -58.86 -58.33 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' GLN . . . -52.06 -36.51 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.835 HD11 HG11 ' A' ' 48' ' ' VAL . 25.0 mt -60.71 -53.13 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -70.22 -34.71 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 22.5 m-85 -88.56 11.91 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ALA . 5.1 pt20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.589 ' HD2' HG12 ' A' ' 68' ' ' VAL . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -5.81 17.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.665 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 81.3 m-20 -83.48 -39.42 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 55.7 mt-30 -88.18 -16.51 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 10.7 mt-30 -48.48 -48.48 67.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -21.14 16.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.1 m-85 -80.19 -49.42 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.523 HD11 HG23 ' A' ' 61' ' ' ILE . 5.7 tp -67.82 -34.87 70.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.62 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.35 -44.33 68.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 19' ' ' ILE . 43.3 t -62.69 -41.12 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.65 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 24.3 m95 -55.49 -52.85 62.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.2 -33.17 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.61 -32.72 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 19' ' ' ILE . 12.7 mt -63.12 -54.54 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.0 m -59.05 -45.77 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 90' ' ' VAL . 13.0 mm-40 -54.59 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.7 m-80 -95.28 51.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' ASN . 66.2 p -38.96 110.72 0.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.653 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 172.54 16.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.24 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.724 ' CH2' HD11 ' A' ' 97' ' ' ILE . 68.2 p-90 -79.52 -1.44 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.724 HD11 ' CH2' ' A' ' 96' ' ' TRP . 45.8 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.1 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.97 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.8 tp -59.84 -44.33 94.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 t -63.17 -47.42 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 8.1 mt -59.97 -50.37 74.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' PRO . 4.7 p -54.74 -51.9 64.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.27 -42.58 98.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.57 -18.58 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.437 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 22.5 m-70 -125.39 34.2 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 38.5 t-105 -47.86 -37.76 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -53.72 -45.37 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.75 -47.26 72.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 85' ' ' VAL . 5.2 mm -59.92 -35.54 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 33.4 mtm180 -71.39 -32.2 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -67.52 -47.72 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -55.61 -40.11 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -45.81 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.53 -26.59 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -87.7 -13.22 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 m 71.29 46.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 10.9 m -139.14 152.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.33 137.79 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.937 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.8 pt -141.86 158.22 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.62 167.13 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.8 ttpp -89.02 -36.85 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -57.02 -50.07 66.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.7 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 25.6 t-105 -49.57 -39.42 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -77.08 -49.2 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.6 m -55.18 -46.65 75.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 m-85 -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 39' ' ' CYS . 53.6 t -94.07 10.67 32.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -91.41 -63.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.598 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.33 37.09 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -116.03 -51.31 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 28.8 m0 -75.36 -44.31 4.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.99 1.6 7.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 41' ' ' SER . 12.5 p -112.81 14.1 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.9 m-30 -93.39 6.57 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 51.66 45.68 27.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -115.58 -21.94 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 4.48 20.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.634 ' HE3' HG12 ' A' ' 60' ' ' VAL . 21.1 t-105 -67.81 128.76 93.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 166.08 29.94 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -73.38 -32.22 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 118.72 170.77 14.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.422 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 14.7 t -161.78 148.06 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-85 -104.02 36.1 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -92.79 109.98 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' CG1' ' A' ' 90' ' ' VAL . 1.2 tp -49.02 -40.11 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.7 m -56.49 -50.3 72.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.634 HG12 ' HE3' ' A' ' 50' ' ' TRP . 39.1 t -69.93 -39.07 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 90' ' ' VAL . 33.3 mt -61.57 -53.36 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -53.75 -41.23 66.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' CB ' HG21 ' A' ' 48' ' ' VAL . 14.8 mm-40 -58.52 -52.75 64.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 68' ' ' VAL . 37.3 t -69.61 -35.28 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.0 tttt -61.96 -46.55 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.31 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 64' ' ' VAL . 85.6 mt -76.46 -39.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 64' ' ' VAL . 2.1 m -81.42 -26.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-85 -100.95 33.05 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 67' ' ' ILE . 12.6 mt-30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.628 ' HD2' HG12 ' A' ' 68' ' ' VAL . 22.1 m-70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.611 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -89.58 -42.33 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 41.2 mt-30 -88.29 -16.76 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.6 mt-30 -48.68 -49.36 66.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.95 -22.11 15.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.937 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -78.33 -49.8 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 68' ' ' VAL . 5.7 tp -65.63 -38.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.539 HG22 HD13 ' A' ' 26' ' ' LEU . 1.8 m -47.23 -49.87 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 19' ' ' ILE . 84.7 t -62.84 -42.41 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.7 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 33.3 m95 -53.9 -45.96 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -48.23 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.66 -38.8 82.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.571 HD11 HD12 ' A' ' 19' ' ' ILE . 11.0 mt -55.02 -52.49 63.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG21 HD12 ' A' ' 61' ' ' ILE . 89.9 t -53.86 -56.23 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -46.12 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -91.39 64.11 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.7 p -49.19 114.09 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.761 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.03 166.39 29.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -23.8 13.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.614 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.3 p-90 -80.01 -8.15 59.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.039 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 94' ' ' PRO . 23.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.02 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.583 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.11 -48.5 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -63.33 -44.7 94.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 7' ' ' THR . 12.1 mt -56.58 -47.6 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 2.3 p -63.64 -53.14 56.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.738 HD12 ' HD2' ' A' ' 32' ' ' LYS . 3.7 mm? -58.78 -36.57 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.493 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 64.7 m-70 -117.39 39.89 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 40.3 t-105 -47.32 -36.92 10.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.7 m -53.81 -40.13 66.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -71.16 -44.8 64.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.26 -36.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.7 mtm105 -70.31 -30.88 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -39.54 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -68.49 -41.97 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -47.17 82.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -34.83 71.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 85' ' ' VAL . 41.0 mt -82.38 -0.4 45.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.8 t 54.72 47.1 23.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.927 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 13.1 m -140.58 157.79 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.84 138.83 53.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.959 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.9 pt -141.26 171.98 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -124.17 166.8 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.738 ' HD2' HD12 ' A' ' 13' ' ' LEU . 6.9 ttpp -92.09 -12.76 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.503 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.95 -50.56 4.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 -38.33 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.654 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.6 t-105 -49.04 -47.21 44.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -49.17 56.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 3.5 m -53.98 -52.82 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 12.7 m-85 -55.91 -30.05 61.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.8 t -103.83 14.25 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.18 -59.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.574 ' O ' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -151.92 35.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.6 tp10 -115.79 -50.08 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -76.57 -43.86 3.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.05 1.75 7.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.574 HG21 ' O ' ' A' ' 41' ' ' SER . 32.7 p -115.79 21.22 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.1 m-30 -100.59 -2.57 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER 58.93 81.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 6.2 m -152.86 -45.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.16 39.48 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.8 t-105 -105.39 123.57 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 167.31 27.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.18 13.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 7' ' ' THR . 73.6 mm-40 -83.93 -19.85 33.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.12 -178.89 32.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -166.27 146.04 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 52.3 m-85 -100.37 30.65 3.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -91.79 106.21 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.71 -37.85 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 m -58.1 -51.12 71.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG12 ' HE3' ' A' ' 50' ' ' TRP . 90.3 t -69.65 -35.11 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 90' ' ' VAL . 82.3 mt -65.36 -53.36 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.86 -24.98 17.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.04 -52.82 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.853 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.7 t -69.33 -38.63 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 83' ' ' ILE . 4.9 tttt -63.9 -49.97 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.04 33.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 48' ' ' VAL . 67.1 mt -79.29 -47.72 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -70.49 -34.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -94.81 38.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 2.2 m-70 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.79 17.22 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.636 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 m-20 -88.87 -38.99 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 10.8 mt-30 -87.99 -16.7 33.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.0 mt-30 -49.31 -49.0 73.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -75.04 -24.65 12.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.959 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.3 m-85 -73.02 -49.55 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.583 HD11 HG23 ' A' ' 61' ' ' ILE . 7.2 tp -68.81 -35.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.1 m -50.17 -45.78 53.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 57.3 t -63.15 -43.38 98.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.654 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 30.4 m95 -55.22 -52.34 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.22 -34.9 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -71.93 -37.63 69.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.577 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.65 -45.0 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.865 HG21 HD12 ' A' ' 61' ' ' ILE . 68.0 t -62.92 -53.48 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -54.04 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -90.65 66.79 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 p -50.47 115.9 6.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.539 ' HG3' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.01 165.48 31.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -23.71 13.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 97' ' ' ILE . 26.3 p-90 -80.48 -8.07 59.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.678 ' O ' HD12 ' A' ' 11' ' ' LEU . 35.6 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 1.014 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.98 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 13' ' ' LEU . 56.4 tp -56.33 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 -27.31 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 7' ' ' THR . 11.3 mt -74.0 -37.51 64.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.014 HG23 ' O ' ' A' ' 8' ' ' PRO . 31.3 p -73.23 -54.56 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 9' ' ' LEU . 4.1 mm? -54.74 -37.34 65.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.18 -26.35 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.52 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.3 m-70 -121.51 43.13 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.7 t-105 -53.34 -37.98 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -53.53 -44.77 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 14.6 tp10 -66.65 -41.23 88.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.851 HG23 HG11 ' A' ' 85' ' ' VAL . 18.8 mm -66.39 -34.16 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -71.26 -27.02 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -47.07 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 8.9 mmt180 -52.12 -39.86 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -70.76 -34.25 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -45.64 81.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.71 -32.29 73.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 84' ' ' THR . 76.3 mt -83.18 -19.02 37.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.6 t 79.8 50.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.609 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.3 m -140.37 156.16 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.15 140.07 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.6 pt -143.7 168.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.7 mtmt -117.02 166.62 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 tttt -93.64 -12.67 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.69 -49.76 5.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -39.47 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 22.3 t-105 -48.82 -39.47 25.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ALA . 1.1 ttt180 -77.82 -49.35 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 16.9 m -54.77 -51.67 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.2 m-85 -54.65 -31.95 58.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.07 14.09 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.21 -47.44 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -166.52 37.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.8 tp10 -117.74 -48.34 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 25.4 m0 -75.23 -44.62 4.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 3.52 5.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.415 ' HG1' ' HA ' ' A' ' 42' ' ' GLU . 15.8 p -117.75 21.14 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 6.6 m-30 -100.62 -4.8 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.579 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.3 m-20 59.88 83.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG11 HD11 ' A' ' 67' ' ' ILE . 19.3 m -157.63 -45.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.65 41.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 42.3 t-105 -105.16 124.34 36.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.5 26.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.99 2.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.672 ' CD ' HG21 ' A' ' 7' ' ' THR . 22.3 mm-40 -76.34 -24.51 54.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 106.98 174.74 22.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -156.01 149.22 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 25.2 m-85 -107.93 39.37 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' HG23 ' A' ' 60' ' ' VAL . 46.7 t0 -97.49 107.08 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -45.63 -43.63 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -55.98 -53.41 57.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 57' ' ' ASP . 51.4 t -62.51 -42.54 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 HG11 ' A' ' 90' ' ' VAL . 50.7 mt -55.34 -38.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.86 -25.81 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -71.16 -51.29 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.876 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.8 t -74.42 -36.97 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.7 tttt -61.5 -47.14 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.08 -24.37 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.903 HD11 HG11 ' A' ' 48' ' ' VAL . 69.0 mt -79.96 -38.9 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -79.31 -29.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' LYS . 15.5 m-85 -99.6 26.7 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' PHE . 61.1 mt-30 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.6 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 9.9 m-70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.16 16.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -90.73 -39.99 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 54.5 mt-30 -88.05 -16.82 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.1 mt-30 -49.0 -49.11 70.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.67 15.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.903 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.2 m-85 -78.92 -49.07 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.678 HG21 HG21 ' A' ' 68' ' ' VAL . 6.7 tp -66.09 -37.32 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 26' ' ' LEU . 4.7 m -50.0 -44.82 51.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -64.26 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 47.9 m95 -57.85 -46.97 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -59.42 -36.47 75.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.34 -32.74 62.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 19' ' ' ILE . 15.1 mt -61.16 -54.1 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 61' ' ' ILE . 13.5 m -64.98 -49.51 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 90' ' ' VAL . 12.5 mm-40 -49.48 -49.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 33.7 m-80 -113.46 60.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 57.9 p -37.44 115.17 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 166.36 29.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.73 12.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 54.3 p-90 -80.27 -8.41 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 2.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 12' ' ' THR . 18.2 Cg_endo -74.98 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.806 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.3 -47.89 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -48.94 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 97' ' ' ILE . 12.8 mt -55.56 -45.13 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 8' ' ' PRO . 15.9 p -62.7 -54.55 37.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 9' ' ' LEU . 2.8 mm? -56.88 -47.48 80.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.5 -23.5 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.472 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.5 m-70 -123.32 43.18 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 41.0 t-105 -54.22 -37.16 64.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -53.95 -41.78 68.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.4 tp10 -69.6 -39.45 77.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.867 ' CD1' HD11 ' A' ' 89' ' ' LEU . 15.6 mm -67.3 -35.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -71.6 -25.68 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -43.95 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.67 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.9 mmt180 -59.32 -31.57 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -75.06 -35.84 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.42 -46.34 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -71.4 -29.52 65.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 HG22 ' A' ' 84' ' ' THR . 80.4 mt -85.61 -0.97 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t 56.72 55.25 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.536 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 m -145.62 148.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -110.51 135.73 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.919 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.4 pt -141.71 163.16 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.61 165.74 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.626 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 4.8 tttm -93.77 -12.43 29.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.52 -49.99 5.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.567 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 13.0 t-105 -49.26 -39.87 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -49.04 26.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 m -55.75 -51.5 67.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 13.3 m-85 -56.5 -32.77 65.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.65 11.93 36.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.98 -66.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.6 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -146.87 39.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 5.1 tp10 -115.82 -50.35 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 33.6 m0 -77.29 -43.97 2.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.6 HG21 ' O ' ' A' ' 41' ' ' SER . 16.6 p -113.23 21.33 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 7.4 m-30 -101.94 -11.37 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.4 m-20 63.96 78.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.771 HG23 ' H ' ' A' ' 49' ' ' GLY . 2.3 m -150.97 -68.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.771 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 176.31 33.54 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -106.25 116.17 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -0.72 10.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -116.65 -9.42 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.29 167.28 41.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.572 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -152.44 148.98 28.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.417 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 26.4 m-85 -101.43 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -108.92 110.84 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.533 HD21 ' HG2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -55.84 -28.91 58.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.9 m -63.48 -54.46 36.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -68.66 -43.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.799 ' CD1' HG11 ' A' ' 90' ' ' VAL . 59.1 mt -53.94 -38.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -67.91 -25.98 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.81 -52.17 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.754 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.5 t -64.35 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.5 ttmt -61.07 -53.09 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.08 -37.12 43.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 64' ' ' VAL . 41.7 mt -63.1 -53.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -67.79 -26.55 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -99.89 28.82 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.564 ' HD2' HG12 ' A' ' 68' ' ' VAL . 9.5 m-70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -86.14 -40.13 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -87.6 -16.75 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.4 mt-30 -49.09 -49.55 68.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -22.72 14.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.919 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.1 m-85 -75.85 -50.23 15.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 79' ' ' GLN . 9.1 tp -66.95 -32.14 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.698 HG22 HD13 ' A' ' 26' ' ' LEU . 2.1 m -53.29 -45.03 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HG23 ' A' ' 19' ' ' ILE . 25.9 t -64.16 -43.32 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.567 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 44.3 m95 -53.19 -51.2 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -55.07 -37.02 66.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -73.27 -35.6 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.867 HD11 ' CD1' ' A' ' 19' ' ' ILE . 10.1 mt -58.51 -54.58 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 61' ' ' ILE . 23.6 m -63.86 -47.92 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 14.6 mm-40 -47.98 -55.41 10.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' SER . 35.7 m-80 -107.68 59.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' ASN . 59.6 p -35.99 113.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.08 167.0 27.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.04 13.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 62.2 p-90 -81.01 -7.01 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.96 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -52.35 -48.5 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -41.99 90.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 11.2 mt -57.87 -48.14 80.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' PRO . 39.0 p -63.3 -54.56 35.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.9 mm? -54.38 -47.93 72.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -53.58 -25.49 17.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 29.2 m-70 -122.81 48.73 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CH2' ' O ' ' A' ' 31' ' ' LYS . 44.4 t-105 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -53.74 -48.79 69.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.0 tp10 -60.74 -43.94 97.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.705 HD12 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -64.43 -39.57 86.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 14.4 mtm180 -71.22 -28.25 64.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -49.36 46.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.7 mmt180 -55.7 -30.69 61.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -63.85 -40.34 96.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -41.06 87.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.17 -29.31 66.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 84' ' ' THR . 89.0 mt -93.31 -8.06 43.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.3 m 64.33 53.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.84 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.6 m -144.03 152.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.36 135.75 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.024 HG22 ' CE1' ' A' ' 82' ' ' TYR . 12.5 pt -142.05 163.08 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -113.22 166.9 11.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.1 ttpm? -91.9 -13.78 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.97 -50.88 4.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.698 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 16.2 t-105 -48.15 -37.25 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.1 -47.01 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.5 m -54.68 -51.89 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 m-85 -57.49 -30.98 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.82 14.51 31.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.74 -64.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 45' ' ' THR . 13.7 t -147.34 38.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.7 tp10 -116.67 -49.24 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.659 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 31.6 m0 -77.3 -44.26 2.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.0 1.5 7.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.605 HG21 ' OG ' ' A' ' 41' ' ' SER . 2.6 p -110.88 17.25 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.6 m-30 -98.55 -15.42 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.867 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 70.1 95.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -169.08 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.759 ' O ' HG21 ' A' ' 60' ' ' VAL . . . -174.94 33.15 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -105.1 112.62 65.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.11 9.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.553 ' CD ' HG21 ' A' ' 7' ' ' THR . 7.7 mm-40 -116.19 -12.38 11.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.52 176.08 44.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.638 HG22 HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -161.61 145.05 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 38.7 m-85 -95.61 44.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' THR . 50.8 t0 -104.91 101.7 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.6 tp -48.64 -27.24 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -62.56 -53.85 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -70.21 -41.24 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.762 ' CD1' HG11 ' A' ' 90' ' ' VAL . 72.1 mt -54.17 -48.63 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -54.74 -33.88 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 2.1 mm-40 -68.96 -52.18 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.6 t -65.27 -39.2 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 5.0 tttt -66.88 -51.21 58.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.01 -24.37 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 64' ' ' VAL . 68.1 mt -78.72 -53.54 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -65.57 -35.07 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 15.2 m-85 -94.05 31.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.607 ' HD2' HG12 ' A' ' 68' ' ' VAL . 4.1 m-70 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.16 17.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 19.1 m-20 -85.03 -37.77 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 83' ' ' ILE . 46.7 mt-30 -88.01 -16.03 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 19.4 mt-30 -47.93 -48.78 61.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.01 16.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 1.024 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -79.98 -49.7 11.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.595 HG21 HG21 ' A' ' 68' ' ' VAL . 6.5 tp -69.24 -34.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 26' ' ' LEU . 1.3 m -53.56 -44.5 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 19' ' ' ILE . 46.2 t -63.02 -37.32 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.698 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 25.8 m95 -61.2 -48.72 80.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.9 -33.99 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -29.03 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.705 HD11 HD12 ' A' ' 19' ' ' ILE . 10.7 mt -65.93 -54.57 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.9 m -57.2 -45.27 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -55.77 -67.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -91.96 62.7 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -40.76 114.24 1.09 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -74.99 164.8 32.65 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.24 13.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.582 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 57.5 p-90 -80.79 -10.18 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.8 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 13' ' ' LEU . 20.7 tp -56.26 -45.95 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -67.89 -38.83 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 7' ' ' THR . 12.8 mt -66.66 -47.95 70.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.7 p -58.24 -48.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 9' ' ' LEU . 16.6 mt -66.69 -33.95 76.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.37 -34.87 79.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -113.53 41.34 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -51.53 -37.95 51.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -53.37 -40.05 64.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 26.8 tt0 -73.88 -41.55 62.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.862 HG23 HG11 ' A' ' 85' ' ' VAL . 19.8 mm -64.21 -33.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -71.45 -27.57 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -49.79 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 10.7 mtt-85 -52.26 -40.51 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -46.63 79.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -35.25 80.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 HG22 ' A' ' 84' ' ' THR . 92.6 mt -79.59 -17.87 52.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t 76.86 46.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 1.6 m -141.88 153.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.47 135.08 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.93 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.3 pt -139.38 164.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -120.08 166.77 12.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 2.7 tttm -91.43 -24.6 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -68.66 -49.8 40.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 -40.23 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.6 t-105 -49.18 -37.34 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -74.85 -49.05 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -56.13 -51.55 67.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 16.9 m-85 -59.39 -27.77 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.1 t -106.01 14.86 27.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 36' ' ' ARG . . . -99.11 -60.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.577 ' O ' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -151.43 38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.3 tp10 -116.3 -51.07 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.5 m0 -76.97 -44.15 2.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.92 7.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 41' ' ' SER . 23.9 p -114.7 19.98 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-30 -103.45 -18.83 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.868 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER 72.88 95.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -168.4 -56.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.958 ' O ' HG21 ' A' ' 60' ' ' VAL . . . 161.61 36.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -107.68 116.3 57.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.05 169.18 23.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -114.14 -7.6 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 88.22 169.25 44.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.621 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -155.83 146.22 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.665 ' O ' HG12 ' A' ' 90' ' ' VAL . 19.9 m-85 -99.74 49.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -109.82 107.05 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 5.3 tp -51.22 -27.21 8.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.7 m -62.43 -54.59 37.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -70.51 -40.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.704 HD12 HG11 ' A' ' 90' ' ' VAL . 50.2 mt -54.69 -49.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.1 -34.89 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -52.22 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.824 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 t -61.38 -40.52 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 5.1 tttt -63.96 -50.75 67.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.15 43.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.6 HG21 ' CD2' ' A' ' 46' ' ' PHE . 68.2 mt -76.9 -49.88 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -68.76 -34.8 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 29.5 m-85 -89.3 33.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.462 ' HD2' HG12 ' A' ' 68' ' ' VAL . 4.2 m-70 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.55 19.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.6 OUTLIER -87.5 -36.36 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.19 -17.12 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 6.1 mt-30 -49.7 -48.75 76.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -23.09 14.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.93 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -76.71 -50.08 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . 8.3 tp -63.32 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.492 HG22 HD13 ' A' ' 26' ' ' LEU . 46.1 m -59.08 -51.62 69.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.862 HG11 HG23 ' A' ' 19' ' ' ILE . 94.6 t -54.7 -47.46 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.634 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 31.6 m95 -51.25 -50.09 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.029 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -55.11 -33.3 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.3 -32.31 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -62.81 -46.9 85.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 61' ' ' ILE . 24.6 m -65.06 -41.65 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -64.52 -71.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.5 76.15 9.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p -53.58 111.17 2.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.831 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.03 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.24 13.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 97' ' ' ILE . 10.3 p-90 -80.32 -8.11 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.831 HD12 ' CG ' ' A' ' 94' ' ' PRO . 9.8 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 8' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 -44.58 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.4 tp -66.33 -39.65 89.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t -71.84 -39.26 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.58 -49.33 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.1 p -58.81 -38.68 79.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 47.0 mt -70.21 -43.86 69.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -57.23 -35.59 69.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.513 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 57.9 m-70 -110.81 40.18 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.581 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 41.8 t-105 -49.5 -38.32 29.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.034 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.7 m -53.29 -35.57 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 10.9 tt0 -76.38 -40.56 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.573 HG23 HG11 ' A' ' 85' ' ' VAL . 13.3 mm -65.96 -35.85 76.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.8 mtm180 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.16 -43.4 28.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -54.93 -32.25 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.12 -41.59 49.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -47.42 78.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -30.34 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 84' ' ' THR . 43.6 mt -86.76 0.77 54.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.0 m 58.48 45.43 16.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.619 HG23 ' HB1' ' A' ' 23' ' ' ALA . 31.1 m -137.64 157.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -120.08 141.29 49.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.955 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.5 pt -144.12 166.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -121.97 168.02 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.1 ttpp -86.2 -41.17 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -54.32 -50.34 56.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.601 1.188 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.1 Cg_endo -75.02 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 15.3 t-105 -48.96 -39.87 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.51 -48.64 18.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.6 m -54.08 -52.21 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 9.2 m-85 -57.48 -31.11 65.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.84 16.79 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -101.24 -65.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' HG21 ' A' ' 45' ' ' THR . 9.1 t -141.82 32.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.618 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 tp10 -115.99 -51.02 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.701 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.2 m0 -77.06 -42.28 2.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.037 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.08 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.81 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.421 HG21 ' OG ' ' A' ' 41' ' ' SER . 33.2 p -120.68 22.53 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.6 m-30 -97.22 16.11 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 42.54 59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.54 -44.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 39.92 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.642 ' HE3' HG12 ' A' ' 60' ' ' VAL . 10.5 t-105 -103.92 125.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.56 3.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.2 -20.28 60.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 100.06 -179.59 29.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -162.98 140.34 7.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 38.5 m-85 -94.57 33.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -94.27 107.62 19.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.4 tp -47.58 -39.07 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.2 m -53.89 -52.88 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.642 HG12 ' HE3' ' A' ' 50' ' ' TRP . 41.4 t -68.42 -43.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 90' ' ' VAL . 74.2 mt -56.84 -52.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -53.39 -36.73 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' CB ' HG21 ' A' ' 48' ' ' VAL . 61.8 mm-40 -65.07 -52.8 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 68' ' ' VAL . 15.6 t -66.77 -41.16 87.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.9 tttt -62.48 -53.68 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.89 -35.32 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 64' ' ' VAL . 36.7 mt -61.66 -50.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -72.39 -34.62 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 22.6 m-85 -89.79 25.44 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.631 ' HD2' HG12 ' A' ' 68' ' ' VAL . 5.8 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -6.08 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.638 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.4 m-20 -83.24 -40.01 20.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 9.4 mt-30 -88.1 -16.8 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt-30 -48.8 -48.59 70.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.955 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.5 m-85 -76.24 -49.77 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 86' ' ' TRP . 8.7 tp -70.04 -35.67 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.662 HG22 HD13 ' A' ' 26' ' ' LEU . 2.7 m -51.31 -42.94 61.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.573 HG11 HG23 ' A' ' 19' ' ' ILE . 25.3 t -66.28 -37.89 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 18.9 m95 -59.12 -48.69 80.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -33.96 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.76 -38.26 70.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -54.86 -43.89 73.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 61' ' ' ILE . 21.9 t -65.01 -54.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -46.68 -71.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -90.6 85.29 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.0 p -62.98 111.75 5.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.822 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.93 168.0 25.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 97' ' ' ILE . 41.3 p-90 -80.53 -5.55 56.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.822 HD12 ' CG ' ' A' ' 94' ' ' PRO . 16.5 mt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.7 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 13' ' ' LEU . 15.4 tp -53.92 -42.39 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -70.75 -46.18 63.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 7' ' ' THR . 18.6 mt -57.4 -42.06 81.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -66.29 -54.38 25.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 9' ' ' LEU . 65.0 mt -57.99 -43.1 86.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.05 -19.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.479 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.5 m-70 -126.34 37.86 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.532 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 43.3 t-105 -48.35 -37.9 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -53.44 -41.86 66.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -69.9 -45.66 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.785 HG23 HG11 ' A' ' 85' ' ' VAL . 4.8 mm -61.67 -33.97 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -71.06 -32.16 68.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -44.03 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -56.9 -33.81 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.91 -41.71 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.15 99.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.51 -35.62 73.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD13 HG22 ' A' ' 84' ' ' THR . 89.2 mt -80.65 -9.19 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m 65.96 42.41 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.945 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.6 m -140.83 152.35 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' ILE . 3.3 tp10 -112.36 140.89 46.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.8 pt -141.28 162.75 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -114.93 166.26 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 6.8 tttt -92.01 -13.51 30.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.61 -50.36 5.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -74.97 -38.3 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 16.3 t-105 -49.68 -38.9 34.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ALA . 6.1 ttp180 -76.59 -49.34 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -52.28 62.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CE1' ' NE2' ' A' ' 79' ' ' GLN . 11.1 m-85 -58.7 -29.34 66.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -104.62 16.27 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -100.05 -59.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.589 ' O ' HG21 ' A' ' 45' ' ' THR . 41.6 t -152.23 37.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.58 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 3.5 tp10 -117.06 -49.4 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.1 m0 -77.36 -43.65 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 108.038 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 3.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 41' ' ' SER . 6.1 p -111.85 12.76 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.1 m-30 -95.66 -4.08 44.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.83 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER 57.22 93.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.83 HG13 ' O ' ' A' ' 47' ' ' ASP . 2.0 m -164.51 -71.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.805 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 178.35 33.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 24.6 t-105 -106.41 114.23 62.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 171.41 18.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.73 8.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 7.6 mp0 -115.98 -11.12 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.465 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.36 176.11 44.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.744 ' CG2' HG11 ' A' ' 60' ' ' VAL . 13.2 t -160.78 157.72 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 40.2 m-85 -108.24 47.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 60' ' ' VAL . 33.4 t0 -109.1 106.74 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 87' ' ' GLN . 4.2 tp -52.37 -28.31 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -61.19 -53.08 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.744 HG11 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.71 -40.77 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG11 ' A' ' 90' ' ' VAL . 46.9 mt -54.63 -49.58 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -34.23 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.29 -51.67 35.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 68' ' ' VAL . 25.3 t -65.42 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 5.3 tttt -65.07 -50.46 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.75 33.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 64' ' ' VAL . 62.1 mt -75.36 -51.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.88 -28.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 30.2 m-85 -97.95 28.15 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.584 ' HD2' HG12 ' A' ' 68' ' ' VAL . 14.4 m-70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.98 -9.8 20.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.9 t0 -87.67 -38.47 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.578 ' NE2' ' CE1' ' A' ' 38' ' ' PHE . 64.7 mt-30 -88.01 -16.79 32.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 13.0 mt-30 -48.74 -49.12 68.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.58 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.96 -23.22 14.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -76.61 -49.84 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 68' ' ' VAL . 10.9 tp -66.77 -25.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -65.94 -51.06 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.785 HG11 HG23 ' A' ' 19' ' ' ILE . 98.4 t -54.73 -40.33 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.579 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 22.2 m95 -61.49 -37.21 82.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 90' ' ' VAL . 2.6 tt0 -68.53 -37.31 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 9.1 t0 -74.76 -29.02 60.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 19' ' ' ILE . 11.1 mt -64.94 -53.24 49.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.62 HG11 ' CD1' ' A' ' 61' ' ' ILE . 35.5 m -58.74 -43.62 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.93 -65.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' SER . 51.6 m-80 -87.59 54.14 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 77.7 p -37.02 112.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.99 164.9 32.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -23.34 13.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 61.9 p-90 -80.41 -10.93 59.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -49.67 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.451 1.764 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 39' ' ' CYS . 24.6 tp -58.37 -41.47 84.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -66.36 -44.09 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 7' ' ' THR . 17.5 mt -61.35 -41.26 96.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 1.6 p -66.63 -50.57 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 32' ' ' LYS . 48.9 mt -59.03 -46.1 89.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.55 -31.23 56.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' HD2' ' CE3' ' A' ' 96' ' ' TRP . 47.4 m-70 -115.69 38.28 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' NE ' ' A' ' 20' ' ' ARG . 43.4 t-105 -48.82 -37.73 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.58 -42.26 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.82 -45.56 67.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.739 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.82 -36.72 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.5 mtm180 -71.27 -28.56 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -49.37 54.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -54.14 -39.58 66.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -58.77 -42.53 89.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -45.84 89.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.3 -34.89 79.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -80.65 -15.63 56.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 t 74.69 43.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.056 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.562 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 29.6 m -137.25 158.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.96 136.37 54.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.913 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.7 pt -140.92 168.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -121.0 166.62 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.554 ' HG3' HD22 ' A' ' 13' ' ' LEU . 13.6 tttp -91.96 -21.74 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -71.49 -50.05 22.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -75.02 -38.83 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.437 1.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.0 t-105 -49.32 -39.36 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -77.3 -49.69 14.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 5.6 m -54.6 -52.28 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.5 m-85 -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.5 t -104.68 14.98 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.62 -47.33 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.95 38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.6 tp10 -119.31 -47.44 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 19.1 m0 -75.23 -44.33 4.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.5 5.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 p -115.48 21.44 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-30 -99.81 -18.65 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.738 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.0 t0 76.0 87.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.876 HG11 HD11 ' A' ' 67' ' ' ILE . 1.6 m -161.55 -44.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.81 40.73 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.668 ' HE3' HG12 ' A' ' 60' ' ' VAL . 20.7 t-105 -105.08 127.58 28.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 168.79 24.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.26 5.55 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.81 -25.54 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.06 175.52 22.8 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -155.99 145.23 20.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 35.9 m-85 -97.73 47.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -112.8 106.88 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -45.8 -41.1 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -54.8 -48.36 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.668 HG12 ' HE3' ' A' ' 50' ' ' TRP . 79.6 t -70.22 -33.6 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 83' ' ' ILE . 58.8 mt -65.72 -52.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -25.55 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.99 -52.27 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.765 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.5 t -72.11 -37.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 3.8 ttmt -60.79 -53.31 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.43 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.876 HD11 HG11 ' A' ' 48' ' ' VAL . 43.0 mt -65.77 -52.27 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.1 -35.48 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 80' ' ' GLN . 15.5 m-85 -84.76 8.5 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.615 ' HD2' HG12 ' A' ' 68' ' ' VAL . 4.4 m-70 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.448 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -10.36 21.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t70 -82.2 -35.96 27.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.649 ' O ' HG22 ' A' ' 83' ' ' ILE . 40.2 mt-30 -88.32 -17.1 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.61 ' OE1' ' CE2' ' A' ' 69' ' ' PHE . 9.3 mt-30 -49.04 -48.14 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -24.01 13.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.913 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.7 m-85 -75.66 -49.35 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 79' ' ' GLN . 5.1 tp -70.11 -35.08 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.457 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -53.12 -42.28 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.739 HG11 HG23 ' A' ' 19' ' ' ILE . 39.0 t -64.71 -43.39 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.631 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 10.9 m95 -51.43 -49.54 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.0 -31.87 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.54 -29.0 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.714 HD21 HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -66.78 -52.52 43.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 61' ' ' ILE . 32.8 m -64.66 -33.2 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -70.32 -68.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 71.2 m-20 -87.63 56.62 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.5 p -37.59 111.47 0.56 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.807 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.02 168.16 25.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -24.21 12.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.634 ' CE3' HG13 ' A' ' 97' ' ' ILE . 13.9 p-90 -80.11 -5.2 55.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.807 HD12 ' CG ' ' A' ' 94' ' ' PRO . 28.6 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.543 0.211 . . . . 0.0 110.432 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 12' ' ' THR . 18.1 Cg_endo -75.05 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 13' ' ' LEU . 8.9 tp -70.42 -36.62 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' ASP . 8.1 t -76.87 -48.15 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -53.07 -56.25 17.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 8' ' ' PRO . 41.5 p -51.94 -44.75 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.2 mm? -68.78 -34.43 75.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' SER . 1.5 m-20 -78.03 -6.99 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -134.66 35.22 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.604 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CH2' HG13 ' A' ' 30' ' ' ILE . 47.0 t-105 -48.43 -38.77 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.9 m -53.33 -44.1 68.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 34.0 tt0 -68.36 -45.87 71.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.844 HG23 HG11 ' A' ' 85' ' ' VAL . 5.0 mm -60.43 -36.39 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtm105 -70.25 -30.14 67.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -47.3 69.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 7.9 mtt-85 -59.71 -35.38 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.17 -34.87 71.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -67.46 -46.65 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.32 -30.22 70.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 84' ' ' THR . 87.4 mt -87.49 -12.76 45.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 67.85 56.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.629 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 7.8 m -144.35 145.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.21 138.44 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.8 pt -142.45 161.56 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.42 166.37 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.74 -17.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.504 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -75.43 -49.96 8.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 -38.53 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CH2' HG21 ' A' ' 19' ' ' ILE . 7.9 t-105 -49.43 -46.64 47.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -70.25 -49.54 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 8.5 m -54.44 -51.98 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.6 m-85 -56.85 -28.79 62.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -105.44 13.65 29.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.34 -57.28 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.17 38.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.627 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -117.48 -50.09 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.661 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.0 m0 -76.76 -44.02 3.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.03 1.59 7.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.5 p -119.0 21.25 12.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.5 m-30 -97.48 -17.66 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.681 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 77.43 83.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.752 HG11 HD11 ' A' ' 67' ' ' ILE . 6.9 m -159.4 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 143.79 44.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.572 ' HE3' HG12 ' A' ' 60' ' ' VAL . 39.2 t-105 -103.98 126.13 32.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.98 164.09 34.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -72.81 -29.25 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 51' ' ' PRO . . . 114.4 174.43 18.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -162.8 149.89 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 33.1 m-85 -110.86 36.16 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.588 ' OD2' HG23 ' A' ' 60' ' ' VAL . 54.9 t0 -93.2 109.37 20.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.3 tp -46.83 -44.35 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -54.35 -43.77 71.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.588 HG23 ' OD2' ' A' ' 57' ' ' ASP . 86.9 t -75.39 -39.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.882 HD12 HG21 ' A' ' 90' ' ' VAL . 58.3 mt -62.55 -53.63 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.48 -27.83 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.58 -52.46 21.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.884 ' O ' HG13 ' A' ' 68' ' ' VAL . 8.0 t -70.91 -39.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 5.2 tttt -59.31 -48.94 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.87 64.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.752 HD11 HG11 ' A' ' 48' ' ' VAL . 65.7 mt -77.73 -40.52 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.884 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -78.23 -29.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.7 m-85 -96.7 33.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 1.7 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.6 18.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.623 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 t0 -86.16 -37.45 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.23 -17.68 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 9.5 mt-30 -49.66 -48.61 76.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.93 -23.88 13.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.908 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -75.12 -50.44 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 86' ' ' TRP . 6.9 tp -66.22 -32.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.735 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.54 -45.82 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.844 HG11 HG23 ' A' ' 19' ' ' ILE . 75.2 t -62.8 -41.66 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.618 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 27.2 m95 -56.4 -47.49 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.84 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -59.25 -36.53 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 19' ' ' ILE . 8.0 mt -58.21 -49.77 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.882 HG21 HD12 ' A' ' 61' ' ' ILE . 48.3 t -56.42 -45.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.58 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.2 m-80 -86.43 55.43 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 6.8 p -37.15 113.5 0.63 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.554 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -75.01 166.3 29.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.99 12.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.638 ' CE3' HG13 ' A' ' 97' ' ' ILE . 30.5 p-90 -80.24 -8.75 59.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 95.7 p -74.67 123.46 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -165.98 113.77 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.17 161.71 35.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -129.53 74.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -171.1 148.2 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.77 133.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.655 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.3 p -109.87 161.24 25.06 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.95 -46.26 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -54.77 -41.56 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -41.4 63.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' THR . 10.8 mt -62.81 -38.55 91.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.4 p -72.52 -54.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD22 ' HG3' ' A' ' 32' ' ' LYS . 57.2 mt -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.98 -38.52 91.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.484 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 39.6 m-70 -107.1 39.03 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.62 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.8 t-105 -47.68 -37.36 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 t -54.09 -41.99 68.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -68.86 -42.39 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 19' ' ' ILE . 2.3 mm -62.02 -37.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 30.1 mtm105 -71.25 -31.8 67.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -45.85 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -60.5 -29.97 69.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -72.32 -40.58 67.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.18 85.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -65.28 -28.02 69.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.89 -12.6 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 t 72.9 44.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.447 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.0 m -137.59 160.17 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.82 141.16 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.991 HG22 ' CE1' ' A' ' 82' ' ' TYR . 6.2 pt -144.31 162.67 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -113.06 166.09 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -92.69 -13.09 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.75 -50.17 5.38 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -74.95 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 10.8 t-105 -49.23 -38.9 28.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.3 m -54.82 -52.24 63.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 10.7 m-85 -58.36 -29.26 65.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.93 14.5 31.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.47 -60.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -152.27 36.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.622 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.3 tp10 -115.73 -50.64 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.2 m0 -75.91 -43.79 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 1.75 7.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 41' ' ' SER . 71.7 p -118.92 16.09 13.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.4 m-30 -91.7 -18.89 23.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.592 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.9 t70 78.27 84.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -159.94 -45.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.47 41.0 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.621 ' HE3' HG12 ' A' ' 60' ' ' VAL . 16.5 t-105 -104.45 125.5 33.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.01 163.18 35.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.65 16.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 6.3 mp0 -87.73 -25.7 23.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.2 172.67 21.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.435 HG21 HG11 ' A' ' 60' ' ' VAL . 14.3 t -163.14 142.44 8.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.787 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 37.8 m-85 -99.25 38.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -99.83 109.44 21.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.401 HD13 ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -46.72 -37.19 8.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -58.9 -51.52 69.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.621 HG12 ' HE3' ' A' ' 50' ' ' TRP . 86.6 t -68.82 -33.3 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG21 ' A' ' 90' ' ' VAL . 57.4 mt -66.63 -53.59 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.51 -25.96 40.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 67' ' ' ILE . 3.5 mm-40 -67.28 -52.23 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 t -67.72 -40.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 -35.37 78.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.64 -53.71 55.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.3 mt -65.61 -41.74 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' A' ' 76' ' ' HIS . 5.9 t -60.21 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 26.8 m-85 -90.31 41.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -85.91 -174.11 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.38 139.71 39.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.04 -168.25 16.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.5 14.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.21 -34.91 57.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.9 p -47.65 148.4 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' HB2' HG13 ' A' ' 68' ' ' VAL . 98.7 m-70 -113.91 94.45 33.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.1 21.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.6 m-20 -89.3 -37.29 15.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 29.2 mt-30 -88.11 -17.35 31.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.2 mt-30 -49.16 -48.52 73.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.96 -23.14 14.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.991 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -77.14 -49.84 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' GLN . 10.9 tp -68.46 -29.77 45.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -59.61 -52.68 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.578 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -54.75 -45.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 21.4 m95 -53.23 -37.82 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.74 -41.63 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -37.22 86.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 86' ' ' TRP . 7.0 mt -56.47 -54.5 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 61' ' ' ILE . 85.4 t -50.7 -65.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -39.96 -67.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -90.07 71.76 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -55.19 114.62 7.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.45 13.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 66.2 p-90 -80.3 -10.54 59.76 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt -100.67 -61.4 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -110.91 117.52 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.6 t -109.41 135.23 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.83 162.0 35.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.4 m 63.46 82.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 63.7 p -62.21 109.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.057 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 101.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.53 114.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.94 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.17 -168.47 12.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.16 -60.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.787 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.99 166.16 22.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.25 126.16 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 11' ' ' LEU . 5.8 p -97.4 155.92 36.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.459 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.55 -48.8 68.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -64.56 -46.01 84.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 7' ' ' THR . 13.6 mt -55.68 -51.15 68.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -63.65 -31.66 72.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.703 HD22 HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -73.84 -42.73 60.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.54 -36.22 77.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.476 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 54.4 m-70 -107.66 36.68 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CH2' HG13 ' A' ' 30' ' ' ILE . 38.8 t-105 -48.02 -36.38 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -54.82 -45.32 74.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.05 -41.05 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.643 HD12 HD11 ' A' ' 89' ' ' LEU . 6.3 mm -66.43 -35.79 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 40.7 mtm180 -71.59 -26.6 62.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -47.75 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -55.87 -31.23 62.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.01 -37.99 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -42.19 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -36.35 82.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.52 -18.64 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 t 78.0 50.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.651 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 5.9 m -142.7 154.81 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 139.73 49.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.964 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.1 pt -143.3 157.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 6.2 mmpt? -110.09 165.64 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 5.0 tttt -92.77 -11.53 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.7 -50.83 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.655 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 7.3 t-105 -49.67 -38.96 34.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -49.4 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -55.46 -48.35 74.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.4 m-85 -56.61 -40.69 75.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 t -89.01 8.96 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -89.98 -65.48 1.01 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.49 40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 2.9 tp10 -117.9 -49.37 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.2 m0 -75.54 -44.36 4.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.1 Cg_endo -75.05 1.46 7.74 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 41' ' ' SER . 1.9 p -112.19 20.22 17.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CZ ' ' NE2' ' A' ' 76' ' ' HIS . 8.8 m-30 -101.35 -17.78 16.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 74.63 89.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 47' ' ' ASP . 6.7 m -160.84 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.31 41.07 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 60' ' ' VAL . 17.9 t-105 -104.44 126.51 31.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.01 163.43 35.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.57 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -75.77 -16.38 60.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.4 174.44 31.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.534 HG21 HG11 ' A' ' 60' ' ' VAL . 8.7 t -160.8 153.43 20.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.713 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 33.8 m-85 -110.27 41.31 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -104.36 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.4 -43.28 11.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.5 m -55.25 -50.1 70.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 50' ' ' TRP . 55.2 t -68.12 -32.21 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 90' ' ' VAL . 75.0 mt -68.98 -52.51 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.74 -27.8 30.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.7 mm-40 -64.3 -53.01 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 t -66.63 -39.04 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 9.4 tttt -58.1 -37.32 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.84 53.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -65.86 -42.53 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' HIS . 15.4 t -59.18 -51.21 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 24.3 m-85 -91.54 42.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.89 -172.47 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -105.83 153.75 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.56 -178.17 31.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.14 14.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.48 -28.04 58.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 p -44.65 151.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.646 ' NE2' ' CZ ' ' A' ' 46' ' ' PHE . 46.5 m-70 -115.92 88.12 20.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.55 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.81 16.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.619 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 26.3 t0 -82.68 -33.52 27.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.04 -17.34 31.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 11.7 mt-30 -49.44 -48.82 74.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.04 -24.0 13.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.964 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -74.56 -50.11 19.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.4 tp -65.69 -34.9 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -54.41 -51.26 65.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.574 HG11 HG23 ' A' ' 19' ' ' ILE . 85.9 t -57.68 -43.97 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.655 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 33.1 m95 -53.53 -44.91 69.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.34 -47.66 83.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.38 -40.41 74.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 HD12 ' A' ' 19' ' ' ILE . 6.5 mt -55.26 -54.47 43.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.799 HG21 HD12 ' A' ' 61' ' ' ILE . 75.0 t -51.48 -61.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -43.96 -67.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -92.47 65.82 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 p -49.09 117.58 6.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.57 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.93 165.02 32.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.52 13.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 94' ' ' PRO . 58.7 p-90 -80.51 -9.38 59.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 107.993 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.713 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.9 mt -102.31 -60.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.2 116.52 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.2 t -104.09 134.56 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -67.15 162.91 45.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.43 9.92 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.494 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.7 m -98.98 111.19 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.1 m 62.96 111.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 t -90.06 79.7 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.71 79.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.59 84.58 1.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.3 m 58.75 78.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.3 100.91 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.01 127.65 2.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.733 HG21 ' OE1' ' A' ' 53' ' ' GLU . 40.2 p -100.39 160.42 27.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 13' ' ' LEU . 46.9 tp -53.12 -46.48 68.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -65.59 -45.9 81.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 8.9 mt -59.48 -45.1 92.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -63.36 -49.96 71.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.5 -46.74 87.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.79 -22.3 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.7 m-70 -122.97 41.77 3.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 40.7 t-105 -51.31 -36.32 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.016 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -54.27 -46.26 72.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -64.46 -41.17 96.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.779 HD12 HD11 ' A' ' 89' ' ' LEU . 5.5 mm -66.89 -36.57 77.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.53 -28.08 63.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.5 m -74.09 -48.72 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -54.03 -33.47 57.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.18 -33.68 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -41.09 85.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -28.14 62.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 84' ' ' THR . 95.0 mt -88.44 -8.8 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m 65.6 51.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.02 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.612 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 6.5 m -144.57 151.39 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.72 143.64 44.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.95 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.4 pt -144.1 168.32 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -117.79 166.09 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HE3' ' CD1' ' A' ' 16' ' ' TRP . 3.9 ttmt -93.49 -12.52 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.35 -50.12 5.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.96 -36.58 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 29.4 t-105 -49.69 -39.36 36.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -77.51 -49.83 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.8 m -54.49 -50.66 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.9 m-85 -55.69 -33.83 64.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -100.03 12.78 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 108.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.58 -55.62 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -159.01 38.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 4.1 tp10 -116.4 -49.99 2.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.8 m0 -76.16 -44.52 3.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 41' ' ' SER . 5.5 p -110.53 19.64 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.5 m-30 -102.65 6.16 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 47.62 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.613 HG23 ' H ' ' A' ' 49' ' ' GLY . 11.7 m -151.68 -59.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 154.0 40.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.414 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 32.0 t-105 -105.58 125.55 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.414 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 165.09 31.94 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.04 2.76 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.733 ' OE1' HG21 ' A' ' 7' ' ' THR . 54.0 mm-40 -76.76 -21.98 54.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 105.17 174.71 24.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.5 t -157.49 140.71 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 23.1 m-85 -97.33 43.03 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -102.02 132.48 47.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.618 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.33 -25.35 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.0 m -74.39 -52.57 11.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -66.53 -36.23 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.821 HD12 HG21 ' A' ' 90' ' ' VAL . 25.7 mt -61.75 -45.25 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.4 m-85 -60.93 -33.33 72.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 67' ' ' ILE . 52.8 mt-10 -58.38 -52.16 66.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.9 t -68.14 -34.96 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -64.19 -36.89 85.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.68 55.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.1 mt -66.02 -41.0 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.3 t -60.93 -47.13 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 18.9 m-85 -96.04 48.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.459 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.4 pt20 -96.2 175.97 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.74 139.22 33.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.79 -171.45 15.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -4.18 15.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.89 -35.12 51.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.63 150.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.662 ' HB2' HG13 ' A' ' 68' ' ' VAL . 80.0 m-70 -115.59 90.93 27.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.0 -17.1 19.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 3.4 m-20 -88.26 -35.95 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.434 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 49.1 mt-30 -88.29 -17.45 30.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt-30 -49.24 -48.31 74.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.0 -23.22 14.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.95 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.78 -49.05 16.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 83' ' ' ILE . 10.8 tp -67.94 -37.47 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.499 HG22 HD13 ' A' ' 26' ' ' LEU . 16.6 m -53.28 -50.88 63.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.709 HG11 HG23 ' A' ' 19' ' ' ILE . 76.7 t -54.48 -45.78 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.728 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.9 m95 -52.65 -44.1 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -59.85 -44.3 94.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.55 -38.44 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 19' ' ' ILE . 12.2 mt -56.86 -52.24 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 61' ' ' ILE . 98.3 t -64.72 -57.96 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 90' ' ' VAL . 3.1 mt-30 -37.87 -54.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' SER . 11.0 m-80 -112.47 63.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' ASN . 54.0 p -38.46 116.96 0.95 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.572 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.5 Cg_endo -74.92 166.4 29.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -24.45 12.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 97' ' ' ILE . 63.9 p-90 -80.19 -7.76 59.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt -105.52 -54.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.57 -168.89 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -143.29 115.85 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.23 146.43 18.78 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.447 1.092 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -171.02 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 t -115.47 113.31 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.0 p -106.44 146.56 30.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 m -147.59 -58.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.85 170.7 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.54 177.64 48.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.15 -59.13 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 p -104.06 168.93 8.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.28 124.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.681 ' O ' HD12 ' A' ' 11' ' ' LEU . 14.4 p -97.97 159.06 31.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -46.29 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.883 HD22 HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -53.43 -47.49 69.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -65.41 -42.52 92.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 7' ' ' THR . 10.0 mt -60.33 -48.96 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -65.03 -54.58 28.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.883 HD11 HD22 ' A' ' 9' ' ' LEU . 11.4 mt -54.35 -28.74 44.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -76.22 -27.03 56.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.7 m-70 -117.8 42.28 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CH2' HG13 ' A' ' 30' ' ' ILE . 46.8 t-105 -49.86 -34.54 20.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -46.02 75.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.85 -42.99 97.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.99 HG23 HG11 ' A' ' 85' ' ' VAL . 24.6 mm -62.33 -43.58 98.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -68.33 -26.19 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -49.18 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.458 HH21 HD23 ' A' ' 89' ' ' LEU . 8.9 mtt-85 -60.34 -37.17 79.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -68.22 -36.64 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -45.88 82.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -27.63 67.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 84' ' ' THR . 96.0 mt -88.16 -10.42 50.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 69.93 48.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG23 ' HB1' ' A' ' 23' ' ' ALA . 12.7 m -139.38 151.33 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -113.27 131.86 55.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.933 HG22 ' CE1' ' A' ' 82' ' ' TYR . 20.1 pt -136.86 156.93 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.1 mtmt -115.15 166.84 11.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -89.15 -32.6 17.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -61.32 -50.85 62.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.98 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.494 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.9 t-105 -48.97 -42.09 36.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -73.08 -48.99 31.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.8 m -54.7 -52.55 62.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 11.5 m-85 -57.64 -28.84 64.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.9 t -102.26 12.05 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.2 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.554 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -143.75 37.03 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.949 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.5 tp10 -115.15 -51.68 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 41.8 m0 -77.43 -43.31 2.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.04 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.554 HG21 ' O ' ' A' ' 41' ' ' SER . 38.8 p -116.81 21.67 13.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.451 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.9 m-30 -101.92 1.89 37.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 98.3 m-20 55.54 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 47' ' ' ASP . 14.1 m -157.76 -52.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 141.67 42.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.511 ' HE3' HG12 ' A' ' 60' ' ' VAL . 15.5 t-105 -105.21 125.59 33.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 163.32 35.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.21 2.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.3 mp0 -74.82 -12.75 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.87 176.06 36.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 60' ' ' VAL . 14.1 t -159.56 152.1 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 31.3 m-85 -109.29 39.69 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -105.35 109.79 21.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -45.62 -39.77 8.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -57.08 -51.38 69.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 55' ' ' THR . 98.6 t -67.9 -30.35 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 90' ' ' VAL . 73.8 mt -70.0 -53.55 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -53.81 -25.14 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.8 mt-10 -66.24 -52.51 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -68.48 -44.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 4.0 tttt -54.14 -36.95 63.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.36 -53.64 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 63' ' ' GLU . 2.8 mp -66.46 -43.83 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.715 HG13 ' HB2' ' A' ' 76' ' ' HIS . 17.7 t -57.54 -52.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 11.5 m-85 -87.85 41.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 -88.98 -173.16 3.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.07 160.17 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.19 -170.46 41.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.63 -32.88 58.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 p -43.79 148.71 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.715 ' HB2' HG13 ' A' ' 68' ' ' VAL . 57.8 m-70 -116.63 91.25 33.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.07 16.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -84.09 -36.59 22.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.572 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -88.12 -17.66 30.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.7 mt-30 -49.3 -48.77 73.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.1 Cg_endo -75.04 -26.96 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.933 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -69.9 -50.18 44.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.2 tp -68.79 -33.79 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.438 ' CG2' HD13 ' A' ' 26' ' ' LEU . 1.1 m -56.55 -46.78 80.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.99 HG11 HG23 ' A' ' 19' ' ' ILE . 17.2 t -54.98 -46.03 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.494 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 72.1 m95 -52.02 -49.87 62.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -55.08 -52.21 63.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.75 -42.01 78.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD11 HD12 ' A' ' 19' ' ' ILE . 6.7 mt -54.85 -54.26 44.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.836 HG21 HD12 ' A' ' 61' ' ' ILE . 89.6 t -50.26 -55.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -47.73 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -91.42 71.67 6.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.7 p -57.46 109.81 2.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.75 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.04 165.97 30.13 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -23.2 14.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.65 ' O ' HD22 ' A' ' 11' ' ' LEU . 66.5 p-90 -80.0 -9.65 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.761 HD11 HD22 ' A' ' 89' ' ' LEU . 18.3 mt -104.99 -60.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 121.69 31.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.7 p -115.44 130.22 56.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.8 121.69 11.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.99 5.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.75 -75.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 m -152.7 156.8 39.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.5 p -121.31 160.09 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.84 168.66 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.4 150.0 22.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.81 96.84 6.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -167.24 -62.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.61 125.08 9.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.1 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.673 ' O ' HD12 ' A' ' 11' ' ' LEU . 12.8 p -99.91 160.37 27.42 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 -45.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.65 -46.4 70.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -66.9 -42.56 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 7' ' ' THR . 9.9 mt -60.36 -38.31 83.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -74.19 -48.62 27.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 36' ' ' ARG . 61.8 mt -61.83 -45.26 94.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -52.95 -43.14 66.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.412 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 61.7 m-70 -102.67 38.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 38.8 t-105 -47.77 -37.95 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 m -53.46 -41.24 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 tt0 -71.14 -50.04 37.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.642 HG21 ' CH2' ' A' ' 35' ' ' TRP . 3.4 mm -55.9 -36.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtp85 -67.01 -33.9 76.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 m -69.69 -39.15 77.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -58.23 -32.92 68.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -73.79 -33.72 64.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -44.58 87.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -27.1 63.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.834 ' O ' HG13 ' A' ' 28' ' ' VAL . 24.7 mt -93.26 14.5 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t 41.91 50.46 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 26' ' ' LEU . 29.8 m -137.72 163.32 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -124.0 136.52 54.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.993 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.4 pt -140.7 173.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -129.55 166.95 18.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB2' ' NE1' ' A' ' 16' ' ' TRP . 8.6 tttt -91.55 -21.44 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -72.17 -50.5 16.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.05 -38.02 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CH2' HG21 ' A' ' 19' ' ' ILE . 17.1 t-105 -49.1 -39.27 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 13' ' ' LEU . 1.4 ttt85 -77.52 -49.4 14.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.5 m -54.68 -52.75 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.8 m-85 -56.69 -30.51 63.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.7 t -102.38 13.64 34.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.68 -58.35 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -154.09 36.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.614 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.5 tp10 -116.27 -48.22 2.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 27.9 m0 -78.37 -43.82 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 107.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.466 HG21 ' O ' ' A' ' 41' ' ' SER . 68.6 p -120.15 16.66 12.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 1.7 m-30 -90.23 -3.41 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.655 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.4 m-20 61.84 82.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -159.76 -59.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.503 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 152.56 41.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 14.9 t-105 -105.46 123.67 38.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.03 165.04 32.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -25.37 12.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -85.69 -20.97 28.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 102.13 173.9 27.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HG11 ' A' ' 60' ' ' VAL . 14.0 t -160.82 140.37 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 41.8 m-85 -94.43 30.53 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.873 ' OD2' HG23 ' A' ' 60' ' ' VAL . 26.7 t0 -93.78 109.2 20.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tp -46.47 -40.66 12.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -56.72 -52.9 63.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.873 HG23 ' OD2' ' A' ' 57' ' ' ASP . 49.9 t -67.18 -30.25 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 90' ' ' VAL . 92.5 mt -69.74 -53.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.99 -26.39 36.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.607 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.0 mm-40 -62.72 -52.37 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.2 t -69.44 -40.25 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.18 -37.64 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.27 -53.24 60.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.376 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.2 mt -66.59 -45.38 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' HB2' ' A' ' 76' ' ' HIS . 11.7 t -56.1 -51.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 13.7 m-85 -89.78 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -86.74 -176.1 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -107.0 142.02 37.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.21 -167.06 14.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -3.56 14.1 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.607 ' O ' ' CD2' ' A' ' 76' ' ' HIS . . . -76.7 -32.59 49.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -41.07 144.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.743 ' HB2' HG13 ' A' ' 68' ' ' VAL . 4.1 m-70 -116.4 87.93 22.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.69 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.616 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 32.0 m-20 -87.99 -39.99 14.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 11.9 mt-30 -87.99 -17.19 31.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.555 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.4 mt-30 -48.56 -48.69 67.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -74.99 -24.25 13.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.993 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.3 m-85 -75.33 -49.11 20.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 tp -71.0 -31.26 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -59.54 -51.77 68.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.577 HG11 HG23 ' A' ' 19' ' ' ILE . 24.2 t -54.86 -43.99 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.615 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 8.1 m95 -51.57 -48.81 63.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -55.12 -31.83 61.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.96 -40.51 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -54.74 -42.21 71.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 61' ' ' ILE . 98.7 t -68.54 -54.89 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -48.21 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -92.17 76.78 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.8 p -53.4 114.17 5.77 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.518 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.98 165.25 31.72 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.72 13.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 97' ' ' ILE . 20.3 p-90 -80.63 -8.87 59.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.8 mt -103.71 -62.86 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' ILE . 15.7 mttt -125.83 117.68 23.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -141.6 141.9 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.2 -86.58 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.0 2.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -177.17 113.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 t -133.59 104.48 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 84.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.733 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p 48.47 80.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.64 167.42 0.71 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -170.35 106.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -80.25 -17.53 51.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.77 153.43 48.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 11' ' ' LEU . 10.2 p -129.43 156.54 78.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . 18.2 Cg_endo -75.01 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.508 1.794 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.01 -47.32 71.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -69.87 -35.47 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 7' ' ' THR . 8.3 mt -64.54 -43.36 94.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 p -68.39 -52.32 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.932 HD11 HD22 ' A' ' 9' ' ' LEU . 4.9 mt -55.61 -47.25 76.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.5 -22.26 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 56.5 m-70 -128.51 42.05 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.9 t-105 -49.14 -35.47 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.9 -45.63 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.23 -45.95 78.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.683 HG23 HG11 ' A' ' 85' ' ' VAL . 3.3 mm -61.36 -37.52 77.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 12.9 mtm180 -71.48 -31.04 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -44.25 82.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -59.9 -32.83 71.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.07 -41.89 97.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -40.57 92.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -34.32 70.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.78 -10.12 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 68.62 41.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.867 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 14.4 m -139.5 151.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -111.91 141.34 45.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.974 HG22 ' CE1' ' A' ' 82' ' ' TYR . 17.1 pt -142.86 169.03 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -123.48 166.46 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -90.12 -22.72 21.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -70.66 -50.54 24.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.3 Cg_endo -75.01 -37.85 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.643 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 17.7 t-105 -49.43 -38.84 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -78.02 -48.15 16.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -54.76 -52.88 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 8.9 m-85 -57.06 -26.65 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.639 ' HB3' HD11 ' A' ' 9' ' ' LEU . 5.9 t -107.65 14.3 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.78 -53.92 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -157.52 34.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -116.28 -49.59 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CD1' HG11 ' A' ' 64' ' ' VAL . 24.9 m0 -75.83 -44.81 4.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 1.68 7.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' SER . 35.0 p -115.95 21.48 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.04 -7.5 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.746 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER 63.23 88.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -164.29 -43.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.57 40.58 0.15 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.83 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.9 t-105 -105.08 123.18 40.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -74.98 166.3 29.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -35.61 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 16.6 mp0 -75.71 -11.43 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.96 177.53 42.22 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.605 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -160.46 149.73 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.747 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.749 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 19.9 m-85 -102.75 30.42 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HB3' HG23 ' A' ' 60' ' ' VAL . 55.0 t0 -97.46 109.28 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.94 -38.79 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 m -56.64 -44.36 81.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.83 HG12 ' HE3' ' A' ' 50' ' ' TRP . 36.4 t -75.01 -33.33 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.788 HD12 HG21 ' A' ' 90' ' ' VAL . 60.2 mt -67.47 -53.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -53.75 -27.86 31.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.2 mt-10 -65.71 -52.9 47.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.687 HG11 ' CD1' ' A' ' 43' ' ' TRP . 7.8 t -67.27 -37.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -63.35 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.59 56.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 46' ' ' PHE . 3.1 mt -66.24 -41.85 89.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 76' ' ' HIS . 24.4 t -59.77 -53.54 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 44.2 m-85 -86.74 43.14 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.6 pt20 -100.01 135.2 41.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLN . 4.8 t0 39.44 -153.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.78 -72.04 0.91 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.96 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.33 -15.21 41.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -83.32 -172.15 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.585 ' HB2' HG13 ' A' ' 68' ' ' VAL . 95.9 m-70 -134.87 97.28 13.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.56 20.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 7.1 m-20 -89.89 -41.84 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 4.2 mp0 -88.45 -17.71 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 6.5 mt-30 -49.41 -48.4 75.1 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -75.05 -22.63 14.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.974 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -78.32 -49.75 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.0 tp -65.5 -33.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.2 m -58.97 -49.66 77.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.683 HG11 HG23 ' A' ' 19' ' ' ILE . 81.6 t -54.49 -46.85 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.643 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 17.5 m95 -53.18 -48.62 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -54.69 -34.13 61.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.15 -37.47 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -57.35 -39.02 75.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.788 HG21 HD12 ' A' ' 61' ' ' ILE . 48.6 t -72.22 -47.48 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.29 -66.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -93.57 81.98 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 115.71 13.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.53 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.05 164.94 32.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.66 13.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CE3' HG13 ' A' ' 97' ' ' ILE . 15.6 p-90 -80.42 -9.49 59.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.749 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 4.4 mt -103.5 -53.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -140.17 146.99 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.15 87.06 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.49 160.83 9.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 t -89.88 146.96 24.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.79 167.71 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t -151.25 146.89 26.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.056 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -96.9 159.19 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.04 143.68 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.3 128.77 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.56 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.92 134.15 13.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.664 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 p -113.31 162.1 23.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.373 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.814 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.02 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.1 tp -56.61 -38.98 72.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -69.54 -51.31 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 7' ' ' THR . 6.5 mt -55.88 -53.08 61.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 8' ' ' PRO . 51.0 p -52.6 -54.05 38.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 32' ' ' LYS . 82.5 mt -57.14 -43.12 82.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -60.24 -23.15 63.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' CD2' ' CD2' ' A' ' 96' ' ' TRP . 22.2 m-70 -121.91 38.2 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -48.79 -37.59 19.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.68 -44.01 69.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.1 -43.6 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 89' ' ' LEU . 4.9 mm -63.31 -34.35 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 34.4 mtm180 -71.24 -28.67 64.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -48.41 62.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.548 HH21 HD23 ' A' ' 89' ' ' LEU . 8.6 mtt-85 -55.55 -34.02 64.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -67.63 -41.23 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -62.77 -46.66 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.59 -30.76 71.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.69 -0.58 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t 56.65 49.49 14.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.628 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 30.2 m -138.17 151.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.35 128.79 56.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.986 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.4 pt -132.67 165.12 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -122.95 167.19 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG2' HD22 ' A' ' 13' ' ' LEU . 5.0 ttmt -88.25 -37.3 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -56.95 -50.28 65.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 18.1 t-105 -49.55 -39.48 34.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 108.009 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -77.62 -50.22 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -54.79 -52.05 63.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.3 m-85 -55.04 -36.07 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 t -95.37 11.59 32.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -92.52 -60.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.533 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -153.83 38.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' PRO . 1.5 tp10 -119.14 -45.17 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 16.9 m0 -78.31 -43.85 2.12 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 3.59 5.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 41' ' ' SER . 2.5 p -109.66 21.16 17.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 13.0 m-85 -94.08 -15.15 25.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.83 64.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' H ' ' A' ' 49' ' ' GLY . 5.2 m -137.57 -61.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.654 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 156.82 41.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.0 t-105 -104.87 126.45 31.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.1 Cg_endo -75.06 164.41 33.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.82 5.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.7 -24.42 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.76 172.6 22.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -158.48 146.14 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 97' ' ' ILE . 29.3 m-85 -101.58 36.16 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -102.16 103.38 13.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 9.1 tp -45.34 -30.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.9 m -60.87 -49.58 76.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' HE3' ' A' ' 50' ' ' TRP . 97.3 t -69.85 -32.65 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 90' ' ' VAL . 21.1 mt -64.8 -53.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -26.07 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.1 mm-40 -68.88 -52.4 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 68' ' ' VAL . 19.2 t -70.87 -34.35 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.601 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 4.5 ttmt -65.9 -41.86 90.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.51 -51.19 60.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 63' ' ' GLU . 3.4 mt -69.7 -48.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.904 HG13 ' HB2' ' A' ' 76' ' ' HIS . 39.7 t -52.54 -44.55 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 35.5 m-85 -93.78 36.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.567 ' NE2' HG23 ' A' ' 67' ' ' ILE . 5.6 pt20 -81.04 -167.75 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -107.93 150.19 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.67 -166.71 30.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.96 14.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.553 1.817 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.23 -38.04 71.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -49.6 150.1 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.904 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.6 m-70 -113.93 94.21 32.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.25 21.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.609 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -88.52 -39.05 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 76' ' ' HIS . 9.9 mt-30 -88.14 -17.22 31.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.6 mt-30 -48.46 -48.75 66.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.98 -23.62 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.986 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.8 m-85 -76.91 -49.75 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 83' ' ' ILE . 11.1 tp -67.53 -34.53 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.8 m -58.44 -45.48 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 49.3 t -54.86 -47.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.646 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 22.2 m95 -52.08 -47.69 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 3.2 tm0? -56.99 -36.75 70.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -34.1 62.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 19' ' ' ILE . 9.1 mt -61.94 -54.73 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 56' ' ' PHE . 30.9 m -56.09 -41.75 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -59.11 -58.26 9.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.58 50.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -41.13 108.69 0.58 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.24 14.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.599 ' CE3' HG13 ' A' ' 97' ' ' ILE . 66.8 p-90 -80.35 -5.41 56.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.669 HD12 ' CD ' ' A' ' 94' ' ' PRO . 15.3 mt -109.12 -61.01 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.81 97.93 10.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -124.42 107.83 11.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -92.94 157.08 23.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.34 43.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.82 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.6 t 64.53 115.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -140.63 88.18 2.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.75 148.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -172.47 -171.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.11 -50.82 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 t 56.12 76.02 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -178.12 104.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.59 128.45 4.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.685 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.6 p -102.37 158.19 32.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' O ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 -45.53 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.721 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -52.87 -47.96 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -67.72 -40.06 84.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -62.12 -38.47 89.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 8' ' ' PRO . 14.7 p -74.0 -53.59 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.721 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.4 mm? -56.38 -34.13 66.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.29 -29.13 68.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.457 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.7 m-70 -117.15 46.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 40.4 t-105 -55.23 -37.75 67.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.3 m -53.32 -39.65 64.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.78 -42.06 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.982 ' CD1' HD11 ' A' ' 89' ' ' LEU . 19.3 mm -65.43 -32.45 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -71.74 -25.75 62.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.13 -47.79 14.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -47.98 -38.14 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.41 -48.35 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -46.55 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 84' ' ' THR . 61.2 mt -84.48 -5.78 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m 68.95 50.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.588 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.5 m -146.06 154.5 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.13 142.34 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.984 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.1 pt -143.07 162.74 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtpt -114.13 166.08 11.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 10.9 ttpp -93.3 -13.02 28.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.83 -50.08 5.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.1 t-105 -49.3 -40.29 34.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CD ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.69 -49.71 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 7.9 m -54.41 -51.7 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.0 m-85 -55.76 -31.83 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.21 12.76 36.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -95.01 -56.0 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.519 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -158.99 39.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 3.7 tp10 -116.7 -50.51 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.651 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 32.8 m0 -75.65 -44.27 4.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 107.964 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.6 7.56 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 41' ' ' SER . 7.0 p -112.94 16.21 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.1 m-30 -96.66 -19.82 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 48' ' ' VAL . 21.3 t0 74.72 89.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.927 HG11 HD11 ' A' ' 67' ' ' ILE . 4.4 m -161.44 -44.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.42 40.6 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -105.51 122.7 41.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 165.3 31.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 51.7 mm-40 -74.41 -16.95 60.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.17 178.37 33.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -161.2 145.98 13.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.899 ' CE1' HD13 ' A' ' 97' ' ' ILE . 24.7 m-85 -101.76 42.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' HD12 ' A' ' 61' ' ' ILE . 44.6 t0 -100.35 130.09 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.8 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -72.7 -25.75 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 m -72.77 -51.36 19.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.03 -39.45 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.629 ' CD1' HG21 ' A' ' 90' ' ' VAL . 27.1 mt -58.17 -47.45 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.52 -34.51 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -61.8 -52.31 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.832 ' O ' HG13 ' A' ' 68' ' ' VAL . 10.2 t -65.43 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 6.1 tttt -64.57 -50.75 66.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.94 -25.45 29.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.927 HD11 HG11 ' A' ' 48' ' ' VAL . 69.4 mt -77.49 -52.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -66.21 -32.81 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 38.4 m-85 -94.91 36.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -88.03 -172.67 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.6 139.81 40.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.14 -175.07 20.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.66 14.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -73.95 -35.99 52.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.0 p -50.93 154.74 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.609 ' HD2' HG12 ' A' ' 68' ' ' VAL . 9.2 m-70 -120.66 99.02 47.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.81 20.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -87.48 -37.73 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -88.01 -16.77 32.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 15.8 mt-30 -48.91 -49.0 70.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.5 Cg_endo -74.97 -22.3 15.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.984 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -77.78 -50.26 12.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.534 HG21 HG21 ' A' ' 68' ' ' VAL . 10.6 tp -65.31 -36.14 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.583 HG22 HD13 ' A' ' 26' ' ' LEU . 3.9 m -56.22 -50.68 70.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.745 HG11 HG23 ' A' ' 19' ' ' ILE . 20.4 t -54.6 -43.47 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.531 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 37.9 m95 -54.84 -44.24 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.507 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.7 tt0 -65.73 -42.14 91.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -63.27 -42.55 99.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 19' ' ' ILE . 3.5 mt -54.72 -54.39 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.8 ' HB ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -58.25 -58.07 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.0 mt-30 -37.99 -46.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' SER . 23.0 m-80 -119.97 51.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' ASN . 36.6 p -36.56 117.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.649 ' CD ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.95 172.89 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.59 13.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.616 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.4 p-90 -80.09 -1.87 41.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.899 HD13 ' CE1' ' A' ' 56' ' ' PHE . 19.3 mt -114.74 -62.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.13 126.65 41.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.77 -58.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.07 98.02 0.84 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.29 39.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 t 65.0 77.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.051 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.51 78.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.132 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.52 90.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.44 152.22 35.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.971 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -113.68 122.48 5.79 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.6 m 45.56 74.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.33 141.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.942 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.45 129.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.669 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.7 p -104.7 161.95 21.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 -47.11 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -52.93 -48.32 67.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 -35.86 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 7' ' ' THR . 12.9 mt -68.35 -36.56 79.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -76.57 -54.29 6.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.5 mm? -54.03 -36.75 63.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -62.84 -41.4 99.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.522 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 42.7 m-70 -104.41 42.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 39.2 t-105 -50.67 -36.92 38.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -46.6 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.03 -45.45 88.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.645 HD12 HD11 ' A' ' 89' ' ' LEU . 4.5 mm -61.18 -36.99 76.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' NE1' ' A' ' 16' ' ' TRP . 24.1 mtp85 -71.32 -31.08 66.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -46.05 77.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.0 mtt180 -59.63 -30.77 68.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -69.24 -41.11 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.58 -44.26 91.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.66 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 m 67.19 45.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.567 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 26.9 m -136.43 153.53 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.59 134.83 54.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.054 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.9 pt -140.1 154.9 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.1 mtmt -109.08 166.9 10.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 2.4 ttmt -91.33 -15.04 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -79.28 -50.15 5.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.462 1.101 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.04 -37.07 2.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.641 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 19.0 t-105 -49.56 -44.28 46.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -72.64 -47.11 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.2 m -54.82 -52.49 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 79' ' ' GLN . 9.0 m-85 -57.05 -22.47 39.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 t -113.01 14.19 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -98.97 -49.32 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' A' ' 45' ' ' THR . 0.3 OUTLIER -161.83 38.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.651 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 2.4 tp10 -118.09 -51.08 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.693 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 38.2 m0 -78.26 -42.56 2.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.93 3.08 5.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 41' ' ' SER . 11.0 p -120.64 21.78 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 4.2 m-30 -93.18 -9.96 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 68.8 73.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 67' ' ' ILE . 6.8 m -151.32 -59.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.628 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 153.25 41.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -105.1 123.53 39.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.16 31.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.42 2.56 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.64 ' CD ' HG21 ' A' ' 7' ' ' THR . 14.3 mm-40 -73.94 -13.14 60.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.63 177.68 38.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -160.77 147.44 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 31.0 m-85 -103.35 45.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.833 ' OD2' HG23 ' A' ' 60' ' ' VAL . 66.7 t0 -101.48 124.05 46.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 90' ' ' VAL . 0.2 OUTLIER -67.2 -25.73 66.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.8 m -74.52 -51.09 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.833 HG23 ' OD2' ' A' ' 57' ' ' ASP . 25.2 t -67.67 -41.35 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 90' ' ' VAL . 50.8 mt -56.66 -48.44 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 58' ' ' LEU . 1.1 m-85 -57.53 -32.96 67.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.51 -52.25 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.779 ' O ' HG13 ' A' ' 68' ' ' VAL . 14.4 t -64.63 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 2.6 ttmt -64.84 -50.25 67.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.25 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.705 HD11 HG11 ' A' ' 48' ' ' VAL . 62.0 mt -75.7 -52.63 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -65.87 -35.55 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 31.6 m-85 -89.63 24.88 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 67' ' ' ILE . 12.0 pt20 -81.45 -171.18 3.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.27 167.05 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.37 -177.65 54.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.08 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -71.52 -30.26 66.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 p -54.26 160.86 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 0.758 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.618 ' HD2' HG12 ' A' ' 68' ' ' VAL . 5.9 m-70 -128.71 96.51 29.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.1 17.63 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.617 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p30 -89.25 -36.23 15.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.486 ' CD ' ' CE1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -88.23 -16.52 33.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.9 mt-30 -48.27 -48.64 64.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -21.68 15.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 1.054 ' CE1' HG22 ' A' ' 30' ' ' ILE . 7.2 m-85 -79.87 -49.77 11.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 68' ' ' VAL . 9.9 tp -66.53 -40.46 86.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -51.9 -52.14 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.519 HG11 HG23 ' A' ' 19' ' ' ILE . 43.1 t -55.67 -44.35 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.641 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 14.8 m95 -54.54 -39.68 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -68.98 -39.58 79.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -64.98 -38.06 89.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.645 HD11 HD12 ' A' ' 19' ' ' ILE . 5.5 mt -54.97 -54.46 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.753 ' HB ' HD23 ' A' ' 58' ' ' LEU . 59.1 t -60.54 -57.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' VAL . 14.8 mt-30 -36.96 -54.79 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 19.2 m-80 -112.34 59.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' ASN . 94.5 p -35.48 116.87 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.01 166.84 28.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -23.91 13.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CE3' HG13 ' A' ' 97' ' ' ILE . 67.0 p-90 -80.66 -6.34 58.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 4.0 mt -106.13 -61.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -144.61 114.78 7.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.7 p -90.8 92.16 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.34 161.35 29.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' SER . 18.4 Cg_endo -74.93 64.57 5.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.9 m 39.66 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 m -55.08 -58.63 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t 59.95 106.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.79 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.5 147.4 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.67 -114.6 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p -160.81 76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.022 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 p -149.13 157.84 43.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 124.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.668 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.1 p -98.98 163.05 19.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 13' ' ' LEU . 2.3 mt -52.53 -47.7 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -64.78 -40.12 94.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 7' ' ' THR . 11.0 mt -65.7 -52.39 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -59.47 -53.11 61.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.811 HD11 HD22 ' A' ' 9' ' ' LEU . 7.7 mt -57.59 -41.54 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.86 -28.37 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.532 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.4 m-70 -117.95 38.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.566 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 41.1 t-105 -47.92 -36.84 13.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -53.92 -41.44 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.93 -42.55 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.231 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.707 HG23 HG11 ' A' ' 85' ' ' VAL . 3.5 mm -64.91 -37.92 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 10.6 mtm180 -71.04 -29.11 64.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -43.19 61.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -61.77 -28.98 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -73.81 -39.34 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.17 96.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -30.75 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.62 HD13 HG22 ' A' ' 84' ' ' THR . 89.3 mt -87.05 -1.97 58.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m 62.23 50.58 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.586 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 17.5 m -144.88 148.38 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.0 138.04 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 8.2 pt -143.06 171.97 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -128.69 167.23 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' CE ' ' HB2' ' A' ' 16' ' ' TRP . 6.2 tttt -87.14 -38.92 15.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -55.89 -50.93 58.59 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -75.02 -42.64 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.65 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.4 t-105 -48.31 -36.98 15.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -76.69 -46.27 26.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 m -54.62 -52.69 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 14.2 m-85 -57.58 -23.88 53.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 9' ' ' LEU . 8.5 t -111.03 14.24 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -99.24 -50.36 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' HG1' ' A' ' 45' ' ' THR . 0.2 OUTLIER -161.55 40.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.6 tp10 -121.75 -49.03 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.7 m0 -77.08 -45.17 2.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.01 1.59 7.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 41' ' ' SER . 2.3 p -116.03 21.02 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.678 ' CD2' HG21 ' A' ' 67' ' ' ILE . 3.8 m-30 -100.68 -5.8 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.608 ' O ' HG13 ' A' ' 48' ' ' VAL . 9.7 t0 63.52 84.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 HD11 ' A' ' 67' ' ' ILE . 23.9 m -158.5 -46.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.54 42.4 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 60' ' ' VAL . 18.2 t-105 -104.8 129.51 24.77 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.544 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -75.0 164.81 32.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.1 pt-20 -78.78 -12.8 60.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 95.76 174.49 36.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 8.1 t -157.2 138.51 13.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 97' ' ' ILE . 41.2 m-85 -90.89 41.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD2' HG23 ' A' ' 60' ' ' VAL . 49.8 t0 -106.08 102.63 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 11.3 tp -45.55 -38.96 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -54.16 -53.45 53.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 50' ' ' TRP . 88.6 t -67.15 -35.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 83' ' ' ILE . 41.5 mt -62.77 -51.82 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -30.87 39.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.47 -52.85 50.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.822 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.0 t -71.26 -35.09 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 22.7 ttmt -58.86 -58.33 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' GLN . . . -52.06 -36.51 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.835 HD11 HG11 ' A' ' 48' ' ' VAL . 25.0 mt -60.71 -53.13 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -70.22 -34.71 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CD1' ' HG3' ' A' ' 65' ' ' LYS . 22.5 m-85 -88.56 11.91 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ALA . 5.1 pt20 -63.25 -171.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -104.04 165.71 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.33 -173.91 55.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.505 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -71.07 -30.37 67.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 p -57.19 149.13 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.0 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.589 ' HD2' HG12 ' A' ' 68' ' ' VAL . 4.5 m-70 -116.98 96.71 49.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.569 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -5.81 17.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.665 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 81.3 m-20 -83.48 -39.42 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 55.7 mt-30 -88.18 -16.51 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 10.7 mt-30 -48.48 -48.48 67.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -21.14 16.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.1 m-85 -80.19 -49.42 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.523 HD11 HG23 ' A' ' 61' ' ' ILE . 5.7 tp -67.82 -34.87 70.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.62 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.35 -44.33 68.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 19' ' ' ILE . 43.3 t -62.69 -41.12 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.65 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 24.3 m95 -55.49 -52.85 62.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.2 -33.17 67.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.61 -32.72 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 19' ' ' ILE . 12.7 mt -63.12 -54.54 36.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.0 m -59.05 -45.77 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 90' ' ' VAL . 13.0 mm-40 -54.59 -62.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.7 m-80 -95.28 51.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' ASN . 66.2 p -38.96 110.72 0.6 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.653 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.03 172.54 16.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.24 13.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.724 ' CH2' HD11 ' A' ' 97' ' ' ILE . 68.2 p-90 -79.52 -1.44 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.724 HD11 ' CH2' ' A' ' 96' ' ' TRP . 45.8 mt -117.77 -63.21 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.21 123.76 5.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.0 t -163.75 83.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.65 158.72 28.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -79.1 168.38 19.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t 64.26 150.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.1 m -117.92 171.03 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 164.39 16.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.37 159.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.17 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.966 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 44.75 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.59 125.4 5.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.1 p -102.26 162.52 20.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.97 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.8 tp -59.84 -44.33 94.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 t -63.17 -47.42 82.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 8.1 mt -59.97 -50.37 74.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' PRO . 4.7 p -54.74 -51.9 64.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.27 -42.58 98.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.57 -18.58 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.437 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 22.5 m-70 -125.39 34.2 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 38.5 t-105 -47.86 -37.76 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -53.72 -45.37 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.75 -47.26 72.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 85' ' ' VAL . 5.2 mm -59.92 -35.54 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 33.4 mtm180 -71.39 -32.2 68.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -67.52 -47.72 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -55.61 -40.11 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -45.81 79.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.53 -26.59 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -87.7 -13.22 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 m 71.29 46.67 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 10.9 m -139.14 152.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.33 137.79 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.937 HG22 ' CE1' ' A' ' 82' ' ' TYR . 5.8 pt -141.86 158.22 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -114.62 167.13 11.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.8 ttpp -89.02 -36.85 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -57.02 -50.07 66.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.7 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 25.6 t-105 -49.57 -39.42 34.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -77.08 -49.2 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.6 m -55.18 -46.65 75.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 m-85 -57.32 -38.31 73.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 39' ' ' CYS . 53.6 t -94.07 10.67 32.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -91.41 -63.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.598 ' O ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -151.33 37.09 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -116.03 -51.31 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 28.8 m0 -75.36 -44.31 4.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.99 1.6 7.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 41' ' ' SER . 12.5 p -112.81 14.1 19.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.9 m-30 -93.39 6.57 47.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 t0 51.66 45.68 27.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -115.58 -21.94 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.0 4.48 20.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.634 ' HE3' HG12 ' A' ' 60' ' ' VAL . 21.1 t-105 -67.81 128.76 93.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 166.08 29.94 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.86 2.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -73.38 -32.22 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 118.72 170.77 14.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.422 ' HB ' ' CG ' ' A' ' 51' ' ' PRO . 14.7 t -161.78 148.06 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-85 -104.02 36.1 2.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -92.79 109.98 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' CG1' ' A' ' 90' ' ' VAL . 1.2 tp -49.02 -40.11 29.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.7 m -56.49 -50.3 72.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.634 HG12 ' HE3' ' A' ' 50' ' ' TRP . 39.1 t -69.93 -39.07 77.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 90' ' ' VAL . 33.3 mt -61.57 -53.36 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -53.75 -41.23 66.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' CB ' HG21 ' A' ' 48' ' ' VAL . 14.8 mm-40 -58.52 -52.75 64.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 68' ' ' VAL . 37.3 t -69.61 -35.28 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.0 tttt -61.96 -46.55 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.31 67.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 64' ' ' VAL . 85.6 mt -76.46 -39.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 64' ' ' VAL . 2.1 m -81.42 -26.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 22.7 m-85 -100.95 33.05 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.508 ' HB2' ' CA ' ' A' ' 75' ' ' SER . 12.6 mt-30 -65.2 -179.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -117.38 21.44 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.88 7.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.55 14.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.783 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.64 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.28 -37.88 19.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.508 ' CA ' ' HB2' ' A' ' 70' ' ' GLN . 19.3 p -47.67 159.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 22.1 m-70 -132.31 102.68 14.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -5.23 16.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.611 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -89.58 -42.33 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.453 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 41.2 mt-30 -88.29 -16.76 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.6 mt-30 -48.68 -49.36 66.19 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.95 -22.11 15.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.937 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.5 m-85 -78.33 -49.8 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 68' ' ' VAL . 5.7 tp -65.63 -38.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.539 HG22 HD13 ' A' ' 26' ' ' LEU . 1.8 m -47.23 -49.87 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 19' ' ' ILE . 84.7 t -62.84 -42.41 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.7 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 33.3 m95 -53.9 -45.96 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.63 -48.23 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.66 -38.8 82.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.571 HD11 HD12 ' A' ' 19' ' ' ILE . 11.0 mt -55.02 -52.49 63.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG21 HD12 ' A' ' 61' ' ' ILE . 89.9 t -53.86 -56.23 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -46.12 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -91.39 64.11 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.7 p -49.19 114.09 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.761 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -75.03 166.39 29.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -23.8 13.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.614 ' CE3' HG13 ' A' ' 97' ' ' ILE . 68.3 p-90 -80.01 -8.15 59.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.039 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 94' ' ' PRO . 23.5 mt -108.32 -67.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -136.48 123.51 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.61 165.18 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 52.54 71.48 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 79.12 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 p -84.87 151.11 24.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t 62.06 143.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.0 m -156.02 166.46 33.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -168.06 169.83 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.58 145.16 8.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -128.33 70.27 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -170.38 150.29 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.72 122.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.7 p -104.44 162.88 18.52 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.02 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.583 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.11 -48.5 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -63.33 -44.7 94.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 7' ' ' THR . 12.1 mt -56.58 -47.6 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 2.3 p -63.64 -53.14 56.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.738 HD12 ' HD2' ' A' ' 32' ' ' LYS . 3.7 mm? -58.78 -36.57 74.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.493 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 64.7 m-70 -117.39 39.89 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 40.3 t-105 -47.32 -36.92 10.06 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.7 m -53.81 -40.13 66.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -71.16 -44.8 64.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.26 -36.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.7 mtm105 -70.31 -30.88 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -39.54 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -58.2 -32.35 68.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -68.49 -41.97 79.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -47.17 82.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -34.83 71.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 85' ' ' VAL . 41.0 mt -82.38 -0.4 45.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ALA . 8.8 t 54.72 47.1 23.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.927 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 13.1 m -140.58 157.79 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.84 138.83 53.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.959 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.9 pt -141.26 171.98 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -124.17 166.8 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.738 ' HD2' HD12 ' A' ' 13' ' ' LEU . 6.9 ttpp -92.09 -12.76 32.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.503 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.95 -50.56 4.85 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 -38.33 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.654 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 12.6 t-105 -49.04 -47.21 44.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 108.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -49.17 56.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 3.5 m -53.98 -52.82 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 12.7 m-85 -55.91 -30.05 61.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' HB3' HD11 ' A' ' 9' ' ' LEU . 7.8 t -103.83 14.25 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -97.18 -59.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.574 ' O ' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -151.92 35.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.032 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.613 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.6 tp10 -115.79 -50.08 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 24.9 m0 -76.57 -43.86 3.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.05 1.75 7.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.574 HG21 ' O ' ' A' ' 41' ' ' SER . 32.7 p -115.79 21.22 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.1 m-30 -100.59 -2.57 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER 58.93 81.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.829 HG11 HD11 ' A' ' 67' ' ' ILE . 6.2 m -152.86 -45.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.16 39.48 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE3' HG12 ' A' ' 60' ' ' VAL . 12.8 t-105 -105.39 123.57 39.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.2 Cg_endo -75.04 167.31 27.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.18 13.17 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' HG21 ' A' ' 7' ' ' THR . 73.6 mm-40 -83.93 -19.85 33.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.12 -178.89 32.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -166.27 146.04 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 52.3 m-85 -100.37 30.65 3.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -91.79 106.21 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.0 OUTLIER -45.71 -37.85 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.8 m -58.1 -51.12 71.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG12 ' HE3' ' A' ' 50' ' ' TRP . 90.3 t -69.65 -35.11 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 90' ' ' VAL . 82.3 mt -65.36 -53.36 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.86 -24.98 17.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.04 -52.82 12.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.853 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.7 t -69.33 -38.63 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 83' ' ' ILE . 4.9 tttt -63.9 -49.97 70.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.04 33.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.829 HD11 HG11 ' A' ' 48' ' ' VAL . 67.1 mt -79.29 -47.72 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -70.49 -34.36 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -94.81 38.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 74' ' ' GLY . 4.6 pt20 -92.86 165.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -104.97 13.19 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.56 -164.8 25.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -100.35 28.8 14.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 p -86.24 143.15 28.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 68' ' ' VAL . 2.2 m-70 -137.71 93.94 12.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.551 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.79 17.22 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.636 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 m-20 -88.87 -38.99 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 10.8 mt-30 -87.99 -16.7 33.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 6.0 mt-30 -49.31 -49.0 73.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -75.04 -24.65 12.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.959 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.3 m-85 -73.02 -49.55 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.583 HD11 HG23 ' A' ' 61' ' ' ILE . 7.2 tp -68.81 -35.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.1 m -50.17 -45.78 53.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 19' ' ' ILE . 57.3 t -63.15 -43.38 98.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.654 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 30.4 m95 -55.22 -52.34 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.22 -34.9 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -71.93 -37.63 69.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.577 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -54.65 -45.0 73.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.865 HG21 HD12 ' A' ' 61' ' ' ILE . 68.0 t -62.92 -53.48 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -54.04 -65.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -90.65 66.79 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 p -50.47 115.9 6.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.539 ' HG3' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.01 165.48 31.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -23.71 13.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 97' ' ' ILE . 26.3 p-90 -80.48 -8.07 59.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.71 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 3.2 mt -104.6 -59.98 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -135.85 134.68 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 p -115.42 161.28 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.01 122.21 7.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 62.76 5.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -79.88 106.31 11.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 94.06 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.0 m 54.51 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.98 -60.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.83 -121.83 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.3 161.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 110.03 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -48.37 175.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.21 122.78 22.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.678 ' O ' HD12 ' A' ' 11' ' ' LEU . 35.6 p -100.61 161.18 24.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.384 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 1.014 ' O ' HG23 ' A' ' 12' ' ' THR . 18.4 Cg_endo -74.98 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 13' ' ' LEU . 56.4 tp -56.33 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -66.92 -27.31 67.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 7' ' ' THR . 11.3 mt -74.0 -37.51 64.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.014 HG23 ' O ' ' A' ' 8' ' ' PRO . 31.3 p -73.23 -54.56 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 9' ' ' LEU . 4.1 mm? -54.74 -37.34 65.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.18 -26.35 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.52 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 28.3 m-70 -121.51 43.13 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CH2' HG13 ' A' ' 30' ' ' ILE . 41.7 t-105 -53.34 -37.98 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -53.53 -44.77 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 14.6 tp10 -66.65 -41.23 88.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.851 HG23 HG11 ' A' ' 85' ' ' VAL . 18.8 mm -66.39 -34.16 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -71.26 -27.02 63.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -47.07 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 8.9 mmt180 -52.12 -39.86 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -70.76 -34.25 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -45.64 81.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.71 -32.29 73.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 84' ' ' THR . 76.3 mt -83.18 -19.02 37.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.6 t 79.8 50.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.609 HG23 ' HB1' ' A' ' 23' ' ' ALA . 2.3 m -140.37 156.16 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.15 140.07 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 82' ' ' TYR . 16.6 pt -143.7 168.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 1.7 mtmt -117.02 166.62 11.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 tttt -93.64 -12.67 28.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.69 -49.76 5.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 -39.47 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 22.3 t-105 -48.82 -39.47 25.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ALA . 1.1 ttt180 -77.82 -49.35 14.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 16.9 m -54.77 -51.67 65.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 9.2 m-85 -54.65 -31.95 58.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.07 14.09 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -96.21 -47.44 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 45' ' ' THR . 0.2 OUTLIER -166.52 37.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.8 tp10 -117.74 -48.34 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.657 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 25.4 m0 -75.23 -44.62 4.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.2 Cg_endo -75.0 3.52 5.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.415 ' HG1' ' HA ' ' A' ' 42' ' ' GLU . 15.8 p -117.75 21.14 13.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 6.6 m-30 -100.62 -4.8 27.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.579 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.3 m-20 59.88 83.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG11 HD11 ' A' ' 67' ' ' ILE . 19.3 m -157.63 -45.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.65 41.8 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 42.3 t-105 -105.16 124.34 36.83 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.5 26.9 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.99 2.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.672 ' CD ' HG21 ' A' ' 7' ' ' THR . 22.3 mm-40 -76.34 -24.51 54.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 106.98 174.74 22.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -156.01 149.22 24.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 25.2 m-85 -107.93 39.37 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' HG23 ' A' ' 60' ' ' VAL . 46.7 t0 -97.49 107.08 19.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -45.63 -43.63 12.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -55.98 -53.41 57.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.419 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 57' ' ' ASP . 51.4 t -62.51 -42.54 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 HG11 ' A' ' 90' ' ' VAL . 50.7 mt -55.34 -38.17 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.86 -25.81 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -71.16 -51.29 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.876 ' O ' HG13 ' A' ' 68' ' ' VAL . 20.8 t -74.42 -36.97 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.7 tttt -61.5 -47.14 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.08 -24.37 62.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.903 HD11 HG11 ' A' ' 48' ' ' VAL . 69.0 mt -79.96 -38.9 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -79.31 -29.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' LYS . 15.5 m-85 -99.6 26.7 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.521 ' HB2' ' CA ' ' A' ' 75' ' ' SER . 61.1 mt-30 -50.65 -178.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -119.58 19.84 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.7 -162.68 9.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.61 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.8 -36.81 21.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.521 ' CA ' ' HB2' ' A' ' 70' ' ' GLN . 94.5 p -42.29 164.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.61 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 9.9 m-70 -131.83 100.7 15.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.16 16.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -90.73 -39.99 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 82' ' ' TYR . 54.5 mt-30 -88.05 -16.82 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.1 mt-30 -49.0 -49.11 70.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.67 15.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.903 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.2 m-85 -78.92 -49.07 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.678 HG21 HG21 ' A' ' 68' ' ' VAL . 6.7 tp -66.09 -37.32 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 26' ' ' LEU . 4.7 m -50.0 -44.82 51.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.457 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 19' ' ' ILE . 53.1 t -64.26 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 47.9 m95 -57.85 -46.97 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -59.42 -36.47 75.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.34 -32.74 62.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.654 HD11 ' CD1' ' A' ' 19' ' ' ILE . 15.1 mt -61.16 -54.1 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 61' ' ' ILE . 13.5 m -64.98 -49.51 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 90' ' ' VAL . 12.5 mm-40 -49.48 -49.3 46.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 93' ' ' SER . 33.7 m-80 -113.46 60.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ASN . 57.9 p -37.44 115.17 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.4 Cg_endo -75.0 166.36 29.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.73 12.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 54.3 p-90 -80.27 -8.41 59.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 108.025 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.702 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 3.5 mt -103.8 -62.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.2 OUTLIER 39.77 65.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.52 130.88 11.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 157.53 89.31 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.74 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -146.89 138.59 24.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 m 61.9 83.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t 60.04 83.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -94.6 93.72 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.79 66.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 p -102.6 145.88 28.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -142.17 78.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.73 -141.13 4.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 110.996 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 2.4 p -63.32 162.34 25.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.38 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 12' ' ' THR . 18.2 Cg_endo -74.98 -49.2 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.806 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.3 -47.89 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -48.94 65.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 97' ' ' ILE . 12.8 mt -55.56 -45.13 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 8' ' ' PRO . 15.9 p -62.7 -54.55 37.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 9' ' ' LEU . 2.8 mm? -56.88 -47.48 80.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.5 -23.5 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.472 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 24.5 m-70 -123.32 43.18 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 41.0 t-105 -54.22 -37.16 64.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.7 m -53.95 -41.78 68.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.4 tp10 -69.6 -39.45 77.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.867 ' CD1' HD11 ' A' ' 89' ' ' LEU . 15.6 mm -67.3 -35.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -71.6 -25.68 62.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -43.95 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.67 ' NH2' HD23 ' A' ' 89' ' ' LEU . 3.9 mmt180 -59.32 -31.57 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -75.06 -35.84 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -64.42 -46.34 83.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -71.4 -29.52 65.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 HG22 ' A' ' 84' ' ' THR . 80.4 mt -85.61 -0.97 56.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t 56.72 55.25 6.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.536 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 m -145.62 148.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -110.51 135.73 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.919 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.4 pt -141.71 163.16 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.61 165.74 12.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.626 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 4.8 tttm -93.77 -12.43 29.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -81.52 -49.99 5.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.567 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 13.0 t-105 -49.26 -39.87 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -49.04 26.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.4 m -55.75 -51.5 67.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 13.3 m-85 -56.5 -32.77 65.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.65 11.93 36.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 37' ' ' THR . . . -94.98 -66.24 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.6 ' O ' HG21 ' A' ' 45' ' ' THR . 0.3 OUTLIER -146.87 39.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.597 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 5.1 tp10 -115.82 -50.35 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 33.6 m0 -77.29 -43.97 2.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.6 HG21 ' O ' ' A' ' 41' ' ' SER . 16.6 p -113.23 21.33 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 7.4 m-30 -101.94 -11.37 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 48' ' ' VAL . 4.4 m-20 63.96 78.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.771 HG23 ' H ' ' A' ' 49' ' ' GLY . 2.3 m -150.97 -68.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.771 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 176.31 33.54 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -106.25 116.17 59.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -0.72 10.28 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -116.65 -9.42 11.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.29 167.28 41.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.572 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -152.44 148.98 28.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.417 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 26.4 m-85 -101.43 50.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -108.92 110.84 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.533 HD21 ' HG2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -55.84 -28.91 58.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.9 m -63.48 -54.46 36.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.5 OUTLIER -68.66 -43.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.799 ' CD1' HG11 ' A' ' 90' ' ' VAL . 59.1 mt -53.94 -38.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -67.91 -25.98 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.81 -52.17 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.754 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.5 t -64.35 -39.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.5 ttmt -61.07 -53.09 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.08 -37.12 43.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 64' ' ' VAL . 41.7 mt -63.1 -53.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -67.79 -26.55 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 17.3 m-85 -99.89 28.82 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -81.91 -172.45 3.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.17 142.7 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 -176.36 24.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.3 15.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -73.73 -30.53 61.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -58.13 166.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.564 ' HD2' HG12 ' A' ' 68' ' ' VAL . 9.5 m-70 -129.84 97.74 23.31 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -7.56 19.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.627 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -86.14 -40.13 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -87.6 -16.75 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 8.4 mt-30 -49.09 -49.55 68.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -22.72 14.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.919 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.1 m-85 -75.85 -50.23 15.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 79' ' ' GLN . 9.1 tp -66.95 -32.14 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.698 HG22 HD13 ' A' ' 26' ' ' LEU . 2.1 m -53.29 -45.03 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HG23 ' A' ' 19' ' ' ILE . 25.9 t -64.16 -43.32 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.567 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 44.3 m95 -53.19 -51.2 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -55.07 -37.02 66.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -73.27 -35.6 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.867 HD11 ' CD1' ' A' ' 19' ' ' ILE . 10.1 mt -58.51 -54.58 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.799 HG11 ' CD1' ' A' ' 61' ' ' ILE . 23.6 m -63.86 -47.92 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 14.6 mm-40 -47.98 -55.41 10.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' SER . 35.7 m-80 -107.68 59.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' ASN . 59.6 p -35.99 113.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.553 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -75.08 167.0 27.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.04 13.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CE3' HG13 ' A' ' 97' ' ' ILE . 62.2 p-90 -81.01 -7.01 59.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt -105.89 -62.75 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -146.93 120.51 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.6 t -124.31 112.47 17.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.85 170.45 55.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.85 4.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.52 102.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 t -109.36 124.03 50.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.84 -58.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.2 -59.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.35 -87.37 0.91 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.08 166.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -68.38 -59.53 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.73 126.68 13.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.9 p -100.61 160.58 26.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 12' ' ' THR . 18.3 Cg_endo -74.96 -48.54 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -52.35 -48.5 65.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -41.99 90.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 7' ' ' THR . 11.2 mt -57.87 -48.14 80.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 8' ' ' PRO . 39.0 p -63.3 -54.56 35.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' A' ' 9' ' ' LEU . 3.9 mm? -54.38 -47.93 72.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -53.58 -25.49 17.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 29.2 m-70 -122.81 48.73 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.562 ' CH2' ' O ' ' A' ' 31' ' ' LYS . 44.4 t-105 -54.34 -36.58 63.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -53.74 -48.79 69.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE2' ' NE ' ' A' ' 22' ' ' ARG . 16.0 tp10 -60.74 -43.94 97.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.705 HD12 HD11 ' A' ' 89' ' ' LEU . 7.9 mm -64.43 -39.57 86.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 14.4 mtm180 -71.22 -28.25 64.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -49.36 46.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 18' ' ' GLU . 3.7 mmt180 -55.7 -30.69 61.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -63.85 -40.34 96.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -41.06 87.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.17 -29.31 66.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 84' ' ' THR . 89.0 mt -93.31 -8.06 43.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.3 m 64.33 53.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.84 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 15.6 m -144.03 152.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.36 135.75 53.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.024 HG22 ' CE1' ' A' ' 82' ' ' TYR . 12.5 pt -142.05 163.08 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CH2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -113.22 166.9 11.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 4.1 ttpm? -91.9 -13.78 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.97 -50.88 4.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.698 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 16.2 t-105 -48.15 -37.25 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.1 -47.01 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.5 m -54.68 -51.89 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 m-85 -57.49 -30.98 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.82 14.51 31.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.74 -64.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.605 ' OG ' HG21 ' A' ' 45' ' ' THR . 13.7 t -147.34 38.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 4.7 tp10 -116.67 -49.24 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.659 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 31.6 m0 -77.3 -44.26 2.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.0 1.5 7.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.605 HG21 ' OG ' ' A' ' 41' ' ' SER . 2.6 p -110.88 17.25 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 7.6 m-30 -98.55 -15.42 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.867 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 70.1 95.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -169.08 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.759 ' O ' HG21 ' A' ' 60' ' ' VAL . . . -174.94 33.15 0.1 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -105.1 112.62 65.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.11 9.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.553 ' CD ' HG21 ' A' ' 7' ' ' THR . 7.7 mm-40 -116.19 -12.38 11.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.52 176.08 44.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.638 HG22 HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -161.61 145.05 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 38.7 m-85 -95.61 44.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 55' ' ' THR . 50.8 t0 -104.91 101.7 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.6 tp -48.64 -27.24 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -62.56 -53.85 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -70.21 -41.24 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.762 ' CD1' HG11 ' A' ' 90' ' ' VAL . 72.1 mt -54.17 -48.63 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -54.74 -33.88 61.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 2.1 mm-40 -68.96 -52.18 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 68' ' ' VAL . 3.6 t -65.27 -39.2 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 69' ' ' PHE . 5.0 tttt -66.88 -51.21 58.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.01 -24.37 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 64' ' ' VAL . 68.1 mt -78.72 -53.54 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.2 m -65.57 -35.07 74.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 15.2 m-85 -94.05 31.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 8.3 pt20 -87.34 -170.08 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -108.93 147.59 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' OG ' ' A' ' 75' ' ' SER . . . 100.27 -177.9 28.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.37 16.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.57 -25.94 64.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 72' ' ' GLY . 3.4 p -65.67 157.3 30.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.607 ' HD2' HG12 ' A' ' 68' ' ' VAL . 4.1 m-70 -122.97 95.58 46.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.16 17.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.667 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 19.1 m-20 -85.03 -37.77 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 83' ' ' ILE . 46.7 mt-30 -88.01 -16.03 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 19.4 mt-30 -47.93 -48.78 61.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.99 -21.01 16.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 1.024 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -79.98 -49.7 11.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.595 HG21 HG21 ' A' ' 68' ' ' VAL . 6.5 tp -69.24 -34.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 26' ' ' LEU . 1.3 m -53.56 -44.5 69.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 19' ' ' ILE . 46.2 t -63.02 -37.32 79.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.698 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 25.8 m95 -61.2 -48.72 80.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.9 -33.99 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -29.03 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.705 HD11 HD12 ' A' ' 19' ' ' ILE . 10.7 mt -65.93 -54.57 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 61' ' ' ILE . 34.9 m -57.2 -45.27 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -55.77 -67.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -91.96 62.7 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.3 p -40.76 114.24 1.09 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.2 Cg_endo -74.99 164.8 32.65 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.24 13.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.582 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 57.5 p-90 -80.79 -10.18 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.2 mt -100.07 -57.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 123.6 36.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m -104.51 -45.59 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.46 -93.98 2.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 m -145.17 137.15 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.6 99.96 12.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 t -138.95 143.2 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.04 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.51 157.62 46.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.048 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.3 -162.39 33.57 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -147.36 80.52 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.05 110.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.8 146.27 6.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.8 p -135.91 163.56 49.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 13' ' ' LEU . 20.7 tp -56.26 -45.95 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -67.89 -38.83 83.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 7' ' ' THR . 12.8 mt -66.66 -47.95 70.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.7 p -58.24 -48.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 9' ' ' LEU . 16.6 mt -66.69 -33.95 76.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.37 -34.87 79.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -113.53 41.34 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CZ2' ' C ' ' A' ' 31' ' ' LYS . 40.6 t-105 -51.53 -37.95 51.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -53.37 -40.05 64.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 26.8 tt0 -73.88 -41.55 62.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.862 HG23 HG11 ' A' ' 85' ' ' VAL . 19.8 mm -64.21 -33.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -71.45 -27.57 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -49.79 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 10.7 mtt-85 -52.26 -40.51 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -46.63 79.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -35.25 80.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 HG22 ' A' ' 84' ' ' THR . 92.6 mt -79.59 -17.87 52.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t 76.86 46.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 1.6 m -141.88 153.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.47 135.08 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.93 HG22 ' CE1' ' A' ' 82' ' ' TYR . 19.3 pt -139.38 164.54 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -120.08 166.77 12.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 2.7 tttm -91.43 -24.6 19.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -68.66 -49.8 40.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 -40.23 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 9.6 t-105 -49.18 -37.34 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -74.85 -49.05 21.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -56.13 -51.55 67.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 79' ' ' GLN . 16.9 m-85 -59.39 -27.77 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.1 t -106.01 14.86 27.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 36' ' ' ARG . . . -99.11 -60.95 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.577 ' O ' HG21 ' A' ' 45' ' ' THR . 0.5 OUTLIER -151.43 38.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 5.3 tp10 -116.3 -51.07 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 34.5 m0 -76.97 -44.15 2.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.4 Cg_endo -74.99 1.92 7.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 41' ' ' SER . 23.9 p -114.7 19.98 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 5.8 m-30 -103.45 -18.83 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.868 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER 72.88 95.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -168.4 -56.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.958 ' O ' HG21 ' A' ' 60' ' ' VAL . . . 161.61 36.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 47.8 t-105 -107.68 116.3 57.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.05 169.18 23.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.07 13.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -114.14 -7.6 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 88.22 169.25 44.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.621 ' CG2' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -155.83 146.22 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.665 ' O ' HG12 ' A' ' 90' ' ' VAL . 19.9 m-85 -99.74 49.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -109.82 107.05 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 87' ' ' GLN . 5.3 tp -51.22 -27.21 8.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.7 m -62.43 -54.59 37.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -70.51 -40.68 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.704 HD12 HG11 ' A' ' 90' ' ' VAL . 50.2 mt -54.69 -49.83 64.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -53.1 -34.89 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.954 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.58 -52.22 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.824 ' O ' HG13 ' A' ' 68' ' ' VAL . 18.4 t -61.38 -40.52 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 69' ' ' PHE . 5.1 tttt -63.96 -50.75 67.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.15 43.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.6 HG21 ' CD2' ' A' ' 46' ' ' PHE . 68.2 mt -76.9 -49.88 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.4 m -68.76 -34.8 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 29.5 m-85 -89.3 33.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' OE1' ' CA ' ' A' ' 74' ' ' GLY . 5.1 pt20 -83.7 164.84 19.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.01 19.64 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.59 -172.75 22.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.546 1.813 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.557 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -96.97 19.25 55.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 p -77.44 149.55 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.557 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 4.2 m-70 -136.26 94.28 14.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.551 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.55 19.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.624 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.6 OUTLIER -87.5 -36.36 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.19 -17.12 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 6.1 mt-30 -49.7 -48.75 76.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.03 -23.09 14.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.93 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -76.71 -50.08 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . 8.3 tp -63.32 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.492 HG22 HD13 ' A' ' 26' ' ' LEU . 46.1 m -59.08 -51.62 69.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.862 HG11 HG23 ' A' ' 19' ' ' ILE . 94.6 t -54.7 -47.46 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.634 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 31.6 m95 -51.25 -50.09 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.029 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -55.11 -33.3 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.3 -32.31 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -62.81 -46.9 85.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.704 HG11 HD12 ' A' ' 61' ' ' ILE . 24.6 m -65.06 -41.65 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -64.52 -71.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.5 76.15 9.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p -53.58 111.17 2.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.831 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.03 166.61 28.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.24 13.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 97' ' ' ILE . 10.3 p-90 -80.32 -8.11 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.831 HD12 ' CG ' ' A' ' 94' ' ' PRO . 9.8 mt -107.29 -61.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.72 127.04 9.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.67 137.93 45.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.76 171.75 40.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.66 12.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -111.43 -57.92 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -150.34 93.52 2.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.98 148.13 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -62.34 -50.79 70.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.66 -113.68 0.58 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m 59.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.964 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.555 ' HA ' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -154.91 148.75 25.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.456 ' H ' HD11 ' A' ' 11' ' ' LEU . . . -171.33 -137.73 2.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -70.27 166.02 38.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 110.39 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 -44.58 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.4 tp -66.33 -39.65 89.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t -71.84 -39.26 69.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 5' ' ' SER . 17.6 mt -64.58 -49.33 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 8' ' ' PRO . 7.1 p -58.81 -38.68 79.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.364 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 47.0 mt -70.21 -43.86 69.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -57.23 -35.59 69.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.513 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 57.9 m-70 -110.81 40.18 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.581 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 41.8 t-105 -49.5 -38.32 29.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 108.034 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.7 m -53.29 -35.57 60.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' OE1' ' NE1' ' A' ' 96' ' ' TRP . 10.9 tt0 -76.38 -40.56 50.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.573 HG23 HG11 ' A' ' 85' ' ' VAL . 13.3 mm -65.96 -35.85 76.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.8 mtm180 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.16 -43.4 28.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -54.93 -32.25 61.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -76.12 -41.59 49.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -47.42 78.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -30.34 69.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 84' ' ' THR . 43.6 mt -86.76 0.77 54.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.0 m 58.48 45.43 16.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.619 HG23 ' HB1' ' A' ' 23' ' ' ALA . 31.1 m -137.64 157.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -120.08 141.29 49.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.955 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.5 pt -144.12 166.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -121.97 168.02 12.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 16' ' ' TRP . 1.1 ttpp -86.2 -41.17 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -54.32 -50.34 56.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.601 1.188 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.1 Cg_endo -75.02 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.658 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 15.3 t-105 -48.96 -39.87 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -76.51 -48.64 18.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.6 m -54.08 -52.21 61.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' ' HG2' ' A' ' 79' ' ' GLN . 9.2 m-85 -57.48 -31.11 65.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.84 16.79 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -101.24 -65.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' HG21 ' A' ' 45' ' ' THR . 9.1 t -141.82 32.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.618 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 1.2 tp10 -115.99 -51.02 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.701 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.2 m0 -77.06 -42.28 2.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.037 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.08 5.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.81 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.421 HG21 ' OG ' ' A' ' 41' ' ' SER . 33.2 p -120.68 22.53 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 3.6 m-30 -97.22 16.11 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 42.54 59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG21 ' CB ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.54 -44.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 39.92 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.642 ' HE3' HG12 ' A' ' 60' ' ' VAL . 10.5 t-105 -103.92 125.25 35.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.4 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.56 3.06 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -74.2 -20.28 60.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 100.06 -179.59 29.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.0 t -162.98 140.34 7.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 38.5 m-85 -94.57 33.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -94.27 107.62 19.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.4 tp -47.58 -39.07 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.2 m -53.89 -52.88 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.642 HG12 ' HE3' ' A' ' 50' ' ' TRP . 41.4 t -68.42 -43.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.848 HD12 HG21 ' A' ' 90' ' ' VAL . 74.2 mt -56.84 -52.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -53.39 -36.73 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' CB ' HG21 ' A' ' 48' ' ' VAL . 61.8 mm-40 -65.07 -52.8 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 68' ' ' VAL . 15.6 t -66.77 -41.16 87.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' O ' HG22 ' A' ' 68' ' ' VAL . 4.9 tttt -62.48 -53.68 51.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.89 -35.32 61.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 64' ' ' VAL . 36.7 mt -61.66 -50.92 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -72.39 -34.62 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 80' ' ' GLN . 22.6 m-85 -89.79 25.44 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.65 -171.99 3.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -108.98 143.6 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.93 -174.98 21.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.46 12.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -77.7 -31.84 48.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -55.01 143.01 27.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.631 ' HD2' HG12 ' A' ' 68' ' ' VAL . 5.8 m-70 -113.31 98.86 47.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -6.08 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.638 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.4 m-20 -83.24 -40.01 20.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG2' ' CG ' ' A' ' 38' ' ' PHE . 9.4 mt-30 -88.1 -16.8 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt-30 -48.8 -48.59 70.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.2 Cg_endo -75.03 -23.37 13.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.955 ' CE1' HG22 ' A' ' 30' ' ' ILE . 6.5 m-85 -76.24 -49.77 16.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 86' ' ' TRP . 8.7 tp -70.04 -35.67 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.662 HG22 HD13 ' A' ' 26' ' ' LEU . 2.7 m -51.31 -42.94 61.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.573 HG11 HG23 ' A' ' 19' ' ' ILE . 25.3 t -66.28 -37.89 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 18.9 m95 -59.12 -48.69 80.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 107.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -33.96 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -71.76 -38.26 70.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -54.86 -43.89 73.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.848 HG21 HD12 ' A' ' 61' ' ' ILE . 21.9 t -65.01 -54.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -46.68 -71.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -90.6 85.29 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.0 p -62.98 111.75 5.49 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.822 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.93 168.0 25.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.498 1.789 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -24.79 12.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 97' ' ' ILE . 41.3 p-90 -80.53 -5.55 56.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.822 HD12 ' CG ' ' A' ' 94' ' ' PRO . 16.5 mt -111.71 -72.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 41.01 66.3 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 p -43.93 147.64 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.41 163.92 29.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.77 20.85 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.422 1.748 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -174.79 163.44 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t 60.81 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.6 p -177.91 142.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -157.9 165.68 34.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.58 -178.33 17.65 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 m -85.03 165.64 17.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -42.72 118.46 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.57 127.0 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.7 p -117.38 162.78 26.59 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 13' ' ' LEU . 15.4 tp -53.92 -42.39 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 t -70.75 -46.18 63.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 7' ' ' THR . 18.6 mt -57.4 -42.06 81.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 p -66.29 -54.38 25.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD11 HD11 ' A' ' 9' ' ' LEU . 65.0 mt -57.99 -43.1 86.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.05 -19.45 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.479 ' CD2' ' CG ' ' A' ' 96' ' ' TRP . 27.5 m-70 -126.34 37.86 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.612 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.532 ' CD1' ' HD3' ' A' ' 32' ' ' LYS . 43.3 t-105 -48.35 -37.9 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -53.44 -41.86 66.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -69.9 -45.66 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.785 HG23 HG11 ' A' ' 85' ' ' VAL . 4.8 mm -61.67 -33.97 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -71.06 -32.16 68.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -44.03 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -56.9 -33.81 67.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -64.91 -41.71 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.15 99.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -70.51 -35.62 73.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD13 HG22 ' A' ' 84' ' ' THR . 89.2 mt -80.65 -9.19 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 24.5 m 65.96 42.41 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.945 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 4.6 m -140.83 152.35 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' ILE . 3.3 tp10 -112.36 140.89 46.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.996 HG22 ' CE1' ' A' ' 82' ' ' TYR . 18.8 pt -141.28 162.75 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' C ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -114.93 166.26 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HD3' ' CD1' ' A' ' 16' ' ' TRP . 6.8 tttt -92.01 -13.51 30.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -80.61 -50.36 5.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.2 Cg_endo -74.97 -38.3 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CZ2' ' NE1' ' A' ' 86' ' ' TRP . 16.3 t-105 -49.68 -38.9 34.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ALA . 6.1 ttp180 -76.59 -49.34 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -52.28 62.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CE1' ' NE2' ' A' ' 79' ' ' GLN . 11.1 m-85 -58.7 -29.34 66.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -104.62 16.27 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -100.05 -59.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.589 ' O ' HG21 ' A' ' 45' ' ' THR . 41.6 t -152.23 37.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 3.5 tp10 -117.06 -49.4 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 30.1 m0 -77.36 -43.65 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 108.038 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -74.98 3.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 41' ' ' SER . 6.1 p -111.85 12.76 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 9.1 m-30 -95.66 -4.08 44.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.83 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER 57.22 93.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.83 HG13 ' O ' ' A' ' 47' ' ' ASP . 2.0 m -164.51 -71.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.805 ' H ' HG23 ' A' ' 48' ' ' VAL . . . 178.35 33.01 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CZ2' ' CE3' ' A' ' 43' ' ' TRP . 24.6 t-105 -106.41 114.23 62.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.03 171.41 18.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.73 8.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 7.6 mp0 -115.98 -11.12 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.465 ' C ' ' HG2' ' A' ' 8' ' ' PRO . . . 90.36 176.11 44.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.744 ' CG2' HG11 ' A' ' 60' ' ' VAL . 13.2 t -160.78 157.72 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' ' CD1' ' A' ' 97' ' ' ILE . 40.2 m-85 -108.24 47.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 60' ' ' VAL . 33.4 t0 -109.1 106.74 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 87' ' ' GLN . 4.2 tp -52.37 -28.31 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -61.19 -53.08 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.744 HG11 ' CG2' ' A' ' 55' ' ' THR . 1.0 OUTLIER -69.71 -40.77 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.62 ' CD1' HG11 ' A' ' 90' ' ' VAL . 46.9 mt -54.63 -49.58 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -34.23 58.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.29 -51.67 35.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 68' ' ' VAL . 25.3 t -65.42 -39.01 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 69' ' ' PHE . 5.3 tttt -65.07 -50.46 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.75 33.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 64' ' ' VAL . 62.1 mt -75.36 -51.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.88 -28.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 30.2 m-85 -97.95 28.15 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -82.7 -169.66 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -103.31 160.76 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.5 -173.72 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.0 13.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.511 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -70.41 -37.74 69.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 p -49.41 153.47 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.584 ' HD2' HG12 ' A' ' 68' ' ' VAL . 14.4 m-70 -122.27 100.27 42.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -74.98 -9.8 20.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.9 t0 -87.67 -38.47 15.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.578 ' NE2' ' CE1' ' A' ' 38' ' ' PHE . 64.7 mt-30 -88.01 -16.79 32.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 13.0 mt-30 -48.74 -49.12 68.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.58 ' O ' HG23 ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.96 -23.22 14.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.996 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.0 m-85 -76.61 -49.84 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 68' ' ' VAL . 10.9 tp -66.77 -25.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.51 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -65.94 -51.06 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.785 HG11 HG23 ' A' ' 19' ' ' ILE . 98.4 t -54.73 -40.33 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.579 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 22.2 m95 -61.49 -37.21 82.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 90' ' ' VAL . 2.6 tt0 -68.53 -37.31 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 9.1 t0 -74.76 -29.02 60.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 19' ' ' ILE . 11.1 mt -64.94 -53.24 49.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.62 HG11 ' CD1' ' A' ' 61' ' ' ILE . 35.5 m -58.74 -43.62 88.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.93 -65.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' SER . 51.6 m-80 -87.59 54.14 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 77.7 p -37.02 112.72 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HB2' ' CD1' ' A' ' 96' ' ' TRP . 18.3 Cg_endo -74.99 164.9 32.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -23.34 13.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CZ3' HG13 ' A' ' 97' ' ' ILE . 61.9 p-90 -80.41 -10.93 59.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.679 ' CD1' ' CZ ' ' A' ' 56' ' ' PHE . 2.5 mt -99.33 -57.0 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.85 -170.78 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.04 -51.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.97 94.4 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.12 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -126.44 -57.79 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.1 m -137.06 161.08 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.093 . . . . 0.0 110.957 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.01 -70.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -167.37 162.65 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.92 164.85 14.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 m 62.56 153.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -58.19 161.72 4.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.53 126.84 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.9 p -109.49 162.0 21.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 -49.67 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.451 1.764 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 39' ' ' CYS . 24.6 tp -58.37 -41.47 84.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -66.36 -44.09 84.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 7' ' ' THR . 17.5 mt -61.35 -41.26 96.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 9' ' ' LEU . 1.6 p -66.63 -50.57 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 32' ' ' LYS . 48.9 mt -59.03 -46.1 89.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.55 -31.23 56.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' HD2' ' CE3' ' A' ' 96' ' ' TRP . 47.4 m-70 -115.69 38.28 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' NE ' ' A' ' 20' ' ' ARG . 43.4 t-105 -48.82 -37.73 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.58 -42.26 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.82 -45.56 67.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.739 HG23 HG11 ' A' ' 85' ' ' VAL . 4.7 mm -61.82 -36.72 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' NE ' ' CD1' ' A' ' 16' ' ' TRP . 13.5 mtm180 -71.27 -28.56 64.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -49.37 54.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -54.14 -39.58 66.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -58.77 -42.53 89.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -45.84 89.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.3 -34.89 79.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD13 HG22 ' A' ' 84' ' ' THR . 88.8 mt -80.65 -15.63 56.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 6.9 t 74.69 43.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.056 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.562 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 29.6 m -137.25 158.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.96 136.37 54.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.913 HG22 ' CE1' ' A' ' 82' ' ' TYR . 13.7 pt -140.92 168.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HB3' ' CD ' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -121.0 166.62 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.554 ' HG3' HD22 ' A' ' 13' ' ' LEU . 13.6 tttp -91.96 -21.74 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -71.49 -50.05 22.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 18.4 Cg_endo -75.02 -38.83 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.437 1.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 86' ' ' TRP . 21.0 t-105 -49.32 -39.36 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -77.3 -49.69 14.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 5.6 m -54.6 -52.28 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 8.5 m-85 -55.93 -30.88 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HB3' HD13 ' A' ' 9' ' ' LEU . 5.5 t -104.68 14.98 28.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.62 -47.33 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.95 38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.608 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 6.6 tp10 -119.31 -47.44 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 19.1 m0 -75.23 -44.33 4.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.02 3.5 5.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 p -115.48 21.44 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 8.5 m-30 -99.81 -18.65 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.738 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.0 t0 76.0 87.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.876 HG11 HD11 ' A' ' 67' ' ' ILE . 1.6 m -161.55 -44.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.81 40.73 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.668 ' HE3' HG12 ' A' ' 60' ' ' VAL . 20.7 t-105 -105.08 127.58 28.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 18.3 Cg_endo -75.01 168.79 24.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.26 5.55 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -81.81 -25.54 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . . . 107.06 175.52 22.8 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 HG21 HG11 ' A' ' 60' ' ' VAL . 15.1 t -155.99 145.23 20.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' PRO . 35.9 m-85 -97.73 47.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -112.8 106.88 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -45.8 -41.1 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -54.8 -48.36 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.668 HG12 ' HE3' ' A' ' 50' ' ' TRP . 79.6 t -70.22 -33.6 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 83' ' ' ILE . 58.8 mt -65.72 -52.9 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -25.55 27.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.99 -52.27 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.765 ' O ' HG13 ' A' ' 68' ' ' VAL . 4.5 t -72.11 -37.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HG3' ' CD1' ' A' ' 69' ' ' PHE . 3.8 ttmt -60.79 -53.31 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.43 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.876 HD11 HG11 ' A' ' 48' ' ' VAL . 43.0 mt -65.77 -52.27 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.5 m -68.1 -35.48 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' OE1' ' A' ' 80' ' ' GLN . 15.5 m-85 -84.76 8.5 16.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.82 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.59 147.94 35.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.04 -173.25 21.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -4.34 15.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.546 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.89 -20.66 64.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.4 p -65.3 145.85 55.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.615 ' HD2' HG12 ' A' ' 68' ' ' VAL . 4.4 m-70 -117.83 95.26 47.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.448 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.98 -10.36 21.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.603 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t70 -82.2 -35.96 27.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.649 ' O ' HG22 ' A' ' 83' ' ' ILE . 40.2 mt-30 -88.32 -17.1 31.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.61 ' OE1' ' CE2' ' A' ' 69' ' ' PHE . 9.3 mt-30 -49.04 -48.14 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.3 Cg_endo -75.02 -24.01 13.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.913 ' CE1' HG22 ' A' ' 30' ' ' ILE . 5.7 m-85 -75.66 -49.35 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 79' ' ' GLN . 5.1 tp -70.11 -35.08 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.457 HG22 HD13 ' A' ' 26' ' ' LEU . 1.9 m -53.12 -42.28 65.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.739 HG11 HG23 ' A' ' 19' ' ' ILE . 39.0 t -64.71 -43.39 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.631 ' CD1' ' CH2' ' A' ' 35' ' ' TRP . 10.9 m95 -51.43 -49.54 61.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.0 -31.87 52.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.54 -29.0 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.714 HD21 HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -66.78 -52.52 43.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 61' ' ' ILE . 32.8 m -64.66 -33.2 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -70.32 -68.33 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 71.2 m-20 -87.63 56.62 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.5 p -37.59 111.47 0.56 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.807 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.02 168.16 25.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -24.21 12.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.634 ' CE3' HG13 ' A' ' 97' ' ' ILE . 13.9 p-90 -80.11 -5.2 55.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.807 HD12 ' CG ' ' A' ' 94' ' ' PRO . 28.6 mt -113.32 -70.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.21 138.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 m -123.34 128.7 50.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -66.43 122.72 21.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 89.05 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.3 p -135.15 141.23 45.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -169.12 161.84 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -58.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 123.74 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.16 94.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 t -131.02 -49.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.87 112.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.98 110.92 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.62 160.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.432 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 12' ' ' THR . 18.1 Cg_endo -75.05 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 13' ' ' LEU . 8.9 tp -70.42 -36.62 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' ASP . 8.1 t -76.87 -48.15 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -53.07 -56.25 17.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 8' ' ' PRO . 41.5 p -51.94 -44.75 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 9' ' ' LEU . 4.2 mm? -68.78 -34.43 75.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' SER . 1.5 m-20 -78.03 -6.99 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -134.66 35.22 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.604 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CH2' HG13 ' A' ' 30' ' ' ILE . 47.0 t-105 -48.43 -38.77 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.9 m -53.33 -44.1 68.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 34.0 tt0 -68.36 -45.87 71.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.844 HG23 HG11 ' A' ' 85' ' ' VAL . 5.0 mm -60.43 -36.39 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' NE1' ' A' ' 16' ' ' TRP . 22.5 mtm105 -70.25 -30.14 67.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -47.3 69.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 7.9 mtt-85 -59.71 -35.38 74.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 28' ' ' VAL . . . -71.17 -34.87 71.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -67.46 -46.65 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.32 -30.22 70.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 84' ' ' THR . 87.4 mt -87.49 -12.76 45.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m 67.85 56.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.629 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 7.8 m -144.35 145.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.21 138.44 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' CE1' ' A' ' 82' ' ' TYR . 10.8 pt -142.45 161.56 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -114.42 166.37 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -93.74 -17.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.504 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -75.43 -49.96 8.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 -38.53 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CH2' HG21 ' A' ' 19' ' ' ILE . 7.9 t-105 -49.43 -46.64 47.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -70.25 -49.54 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 34' ' ' PRO . 8.5 m -54.44 -51.98 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 34' ' ' PRO . 10.6 m-85 -56.85 -28.79 62.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -105.44 13.65 29.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . -97.34 -57.28 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.17 38.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.627 ' O ' ' CD1' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -117.48 -50.09 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.661 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 36.0 m0 -76.76 -44.02 3.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 43' ' ' TRP . 18.3 Cg_endo -75.03 1.59 7.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.5 p -119.0 21.25 12.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' GLU . 2.5 m-30 -97.48 -17.66 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.681 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.5 m-20 77.43 83.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.752 HG11 HD11 ' A' ' 67' ' ' ILE . 6.9 m -159.4 -52.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 143.79 44.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.572 ' HE3' HG12 ' A' ' 60' ' ' VAL . 39.2 t-105 -103.98 126.13 32.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.98 164.09 34.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.14 2.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -72.81 -29.25 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 51' ' ' PRO . . . 114.4 174.43 18.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -162.8 149.89 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 97' ' ' ILE . 33.1 m-85 -110.86 36.16 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.588 ' OD2' HG23 ' A' ' 60' ' ' VAL . 54.9 t0 -93.2 109.37 20.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 1.3 tp -46.83 -44.35 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -54.35 -43.77 71.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.588 HG23 ' OD2' ' A' ' 57' ' ' ASP . 86.9 t -75.39 -39.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.882 HD12 HG21 ' A' ' 90' ' ' VAL . 58.3 mt -62.55 -53.63 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.48 -27.83 40.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.58 -52.46 21.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.884 ' O ' HG13 ' A' ' 68' ' ' VAL . 8.0 t -70.91 -39.62 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 5.2 tttt -59.31 -48.94 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.08 -24.87 64.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.752 HD11 HG11 ' A' ' 48' ' ' VAL . 65.7 mt -77.73 -40.52 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.884 HG13 ' O ' ' A' ' 64' ' ' VAL . 1.1 m -78.23 -29.04 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 80' ' ' GLN . 17.7 m-85 -96.7 33.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 74' ' ' GLY . 5.1 pt20 -86.55 171.33 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -112.55 19.42 17.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.57 -164.46 20.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.28 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -100.26 24.53 31.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 p -82.66 145.75 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.584 ' CE1' ' O ' ' A' ' 74' ' ' GLY . 1.7 m-70 -142.34 92.84 7.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.6 18.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.546 1.814 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.623 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 8.8 t0 -86.16 -37.45 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -88.23 -17.68 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 69' ' ' PHE . 9.5 mt-30 -49.66 -48.61 76.19 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 80' ' ' GLN . 18.4 Cg_endo -74.93 -23.88 13.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.908 ' CE1' HG22 ' A' ' 30' ' ' ILE . 4.3 m-85 -75.12 -50.44 16.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 86' ' ' TRP . 6.9 tp -66.22 -32.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.735 HG22 HD13 ' A' ' 26' ' ' LEU . 3.1 m -53.54 -45.82 69.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.844 HG11 HG23 ' A' ' 19' ' ' ILE . 75.2 t -62.8 -41.66 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.618 ' NE1' ' CZ2' ' A' ' 35' ' ' TRP . 27.2 m95 -56.4 -47.49 78.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 107.998 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.84 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -59.25 -36.53 75.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 19' ' ' ILE . 8.0 mt -58.21 -49.77 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.882 HG21 HD12 ' A' ' 61' ' ' ILE . 48.3 t -56.42 -45.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.58 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' SER . 15.2 m-80 -86.43 55.43 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 6.8 p -37.15 113.5 0.63 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.554 ' CG ' HD12 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -75.01 166.3 29.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -24.99 12.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.638 ' CE3' HG13 ' A' ' 97' ' ' ILE . 30.5 p-90 -80.24 -8.75 59.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 5.0 mt -104.65 -64.13 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -137.75 148.24 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.4 p -139.88 121.24 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.15 100.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 t -152.01 88.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -159.53 119.85 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 0 0 . 1 stop_ save_