data_1dc7_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 1dc7 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 mtt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.509 0.195 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 62.2 119.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 178.31 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.76 139.23 7.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.1 mt -125.55 146.66 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' HB ' ' CD2' ' A' ' 23' ' ' LEU . 1.4 t -147.43 117.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.644 ' CD1' ' HB ' ' A' ' 31' ' ' THR . 27.1 m0 -93.33 115.28 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' PHE . 57.4 t -86.9 140.0 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' CG2' ' OG ' ' A' ' 53' ' ' SER . 17.0 t -135.96 77.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 29.2 t0 -125.88 147.41 49.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' H ' ' NE ' ' A' ' 56' ' ' ARG . 2.0 m-20 -94.31 23.71 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -124.71 173.83 8.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.67 ' HG ' ' NE ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -127.95 48.81 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -132.96 -43.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 19' ' ' LEU . 1.3 mm -82.99 -38.06 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.67 ' NE ' ' HG ' ' A' ' 13' ' ' SER . 13.3 ptt180 -55.44 -35.87 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -79.14 -51.77 9.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 107.985 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -53.37 -54.64 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 11.8 mt -55.3 -54.57 41.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 8.6 tt0 -57.29 -41.05 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TRP . 1.5 ttt180 -66.47 -53.55 33.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.627 ' CB ' ' CG2' ' A' ' 108' ' ' ILE . . . -61.72 -47.84 83.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.25 -39.75 87.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 20' ' ' GLU . . . -86.06 -1.26 57.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -107.21 -25.47 6.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . -89.14 -7.53 55.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.04 35.29 6.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.549 1.156 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -127.68 164.73 21.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.3 m -94.29 155.15 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.0 t -152.41 151.48 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.644 ' HB ' ' CD1' ' A' ' 7' ' ' TRP . 5.6 m -143.88 104.97 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 3.3 p -66.67 126.45 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.469 ' CE2' ' CG2' ' A' ' 31' ' ' THR . 33.0 m-85 -140.91 74.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 pp20? -74.74 46.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.9 m-80 -164.02 90.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -35.56 -32.12 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -60.02 -58.12 9.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -49.65 -52.4 31.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 43' ' ' LEU . 1.2 t -65.2 -11.36 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -94.29 -41.49 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 -2.56 58.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 7' ' ' TRP . . . -106.59 -32.67 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.628 HD22 ' CD2' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -99.04 5.98 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 40' ' ' LEU . . . -90.94 -10.36 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.6 -17.93 12.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.39 -166.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.486 ' CB ' HD21 ' A' ' 43' ' ' LEU . 13.7 t -154.39 136.86 9.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.03 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -86.82 -14.63 41.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG11 ' CG2' ' A' ' 115' ' ' VAL . 1.2 t 176.95 169.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -132.85 158.11 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' CE ' ' A' ' 81' ' ' MET . 12.6 tp -144.53 61.48 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.519 ' OG ' ' CG2' ' A' ' 9' ' ' VAL . 1.4 m -75.13 164.0 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER -115.25 -148.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.535 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -86.83 -108.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.535 ' HD2' ' C ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER 67.49 -59.99 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.731 ' HB3' ' HD2' ' A' ' 58' ' ' PRO . 6.7 mmt -45.58 173.61 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.731 ' HD2' ' HB3' ' A' ' 57' ' ' MET . 18.3 Cg_endo -75.04 -89.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.797 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 20.34 55.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 58' ' ' PRO . 7.0 ttp 68.17 -63.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -111.04 -20.67 12.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.617 ' HA2' ' C ' ' A' ' 57' ' ' MET . . . 113.16 53.66 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -131.6 10.29 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' C ' ' N ' ' A' ' 66' ' ' LEU . . . -81.74 -50.08 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -42.95 -24.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' N ' ' C ' ' A' ' 64' ' ' ALA . 2.7 mp -35.26 -40.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -36.92 -57.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -53.2 -46.86 69.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.626 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 42.4 mm -50.76 -67.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' O ' ' CD ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -57.47 -41.36 80.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.504 ' NE2' ' NE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -62.23 -23.71 66.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' NE ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -96.41 -47.09 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.628 ' CD2' HD22 ' A' ' 43' ' ' LEU . 1.3 p80 -131.88 68.89 80.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' O ' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 65.47 6.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.1 ttm 178.56 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 2.0 mp -53.25 133.01 51.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 18.4 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.626 ' O ' ' CD2' ' A' ' 99' ' ' PHE . 39.0 t -64.03 148.74 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.63 ' O ' ' CD2' ' A' ' 101' ' ' TYR . 1.8 mt -117.48 -53.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.462 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 72.62 160.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.487 ' CE ' ' CG ' ' A' ' 54' ' ' ASP . 5.0 mtm -107.1 152.05 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 101' ' ' TYR . 43.4 p -144.09 160.35 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 104' ' ' LYS . . . -104.93 40.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 8.3 m-70 74.33 -57.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 4.61 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -118.55 19.86 13.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 101' ' ' TYR . 5.0 tp -108.1 -25.75 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -12.42 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' A' ' 63' ' ' LEU . . . -104.18 -11.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.638 ' O ' ' CE1' ' A' ' 101' ' ' TYR . . . -106.76 -27.01 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -90.18 -31.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -124.31 66.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 177.69 55.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -159.39 141.99 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.08 -79.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.56 66.88 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.08 125.19 11.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.1 35.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.626 ' CD2' ' O ' ' A' ' 78' ' ' VAL . 3.3 m-85 -109.9 -170.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' A' ' 101' ' ' TYR . 5.6 m-20 -156.36 24.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.638 ' CE1' ' O ' ' A' ' 90' ' ' ALA . 13.1 m-85 -17.2 90.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.617 ' HB3' ' CD2' ' A' ' 106' ' ' PHE . 5.3 mp -40.68 136.75 1.46 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 59.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.533 ' HA ' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -43.55 146.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.97 146.82 87.72 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.015 -0.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.617 ' CD2' ' HB3' ' A' ' 102' ' ' LEU . 16.4 p90 -141.09 -174.13 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -83.39 100.16 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.627 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -40.3 -47.75 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.83 -41.79 62.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -64.66 -31.58 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.552 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . . . -78.43 -37.1 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.0 t -70.33 -45.49 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.44 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 115' ' ' VAL . 0.1 OUTLIER -63.92 -57.77 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.58 ' CG2' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -47.48 -50.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' N ' ' CG1' ' A' ' 115' ' ' VAL . 4.9 mm-40 -53.06 -18.86 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.5 ptt180 -104.35 -16.88 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.446 ' O ' ' ND1' ' A' ' 121' ' ' HIS . . . -93.5 -34.48 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.611 ' O ' ' CD1' ' A' ' 122' ' ' TYR . 66.1 mt -70.13 -17.95 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.4 m -96.25 -47.72 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -62.81 -14.79 49.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -57.79 -28.21 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 5.0 tt0 -79.56 62.99 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 mtt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.509 0.195 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 62.2 119.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 178.31 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' CA ' HD13 ' A' ' 119' ' ' ILE . . . 111.76 139.23 7.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 HG21 ' HB3' ' A' ' 48' ' ' PRO . 22.1 mt -125.55 146.66 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.614 HG22 HG12 ' A' ' 50' ' ' VAL . 1.4 t -147.43 117.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.796 ' HE3' HG22 ' A' ' 39' ' ' VAL . 27.1 m0 -93.33 115.28 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' PHE . 57.4 t -86.9 140.0 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' CG2' ' OG ' ' A' ' 53' ' ' SER . 17.0 t -135.96 77.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 29.2 t0 -125.88 147.41 49.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' H ' ' NE ' ' A' ' 56' ' ' ARG . 2.0 m-20 -94.31 23.71 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -124.71 173.83 8.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.95 48.81 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.766 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.3 t -132.96 -43.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.707 HG22 HD12 ' A' ' 19' ' ' LEU . 1.3 mm -82.99 -38.06 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB2' HG22 ' A' ' 32' ' ' THR . 13.3 ptt180 -55.44 -35.87 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' C ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -79.14 -51.77 9.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 107.985 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 14' ' ' SER . 70.4 t -53.37 -54.64 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 23' ' ' LEU . 11.8 mt -55.3 -54.57 41.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 8.6 tt0 -57.29 -41.05 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TRP . 1.5 ttt180 -66.47 -53.55 33.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.627 ' CB ' ' CG2' ' A' ' 108' ' ' ILE . . . -61.72 -47.84 83.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD23 HD22 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -60.25 -39.75 87.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 20' ' ' GLU . . . -86.06 -1.26 57.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -107.21 -25.47 6.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . -89.14 -7.53 55.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.04 35.29 6.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.549 1.156 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.968 HD22 HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -127.68 164.73 21.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 28' ' ' LEU . 59.3 m -94.29 155.15 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 12.0 t -152.41 151.48 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.598 ' HB ' ' CD1' ' A' ' 7' ' ' TRP . 5.6 m -143.88 104.97 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 16' ' ' ARG . 3.3 p -66.67 126.45 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CG ' HG23 ' A' ' 39' ' ' VAL . 33.0 m-85 -140.91 74.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 pp20? -74.74 46.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 14.0 m120 -164.02 90.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -35.56 -32.12 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -60.02 -58.12 9.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -49.65 -52.4 31.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.796 HG22 ' HE3' ' A' ' 7' ' ' TRP . 1.2 t -65.2 -11.36 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -94.29 -41.49 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -85.43 -2.56 58.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.557 ' HB1' ' CH2' ' A' ' 7' ' ' TRP . . . -106.59 -32.67 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD22 ' HB3' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -99.04 5.98 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -90.94 -10.36 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.6 -17.93 12.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.39 -166.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 13.7 t -154.39 136.86 9.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.03 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.499 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -86.82 -14.63 41.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 77' ' ' PRO . 1.2 t 176.95 169.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.707 HD22 ' CE1' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -132.85 158.11 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.501 ' O ' ' HE1' ' A' ' 81' ' ' MET . 12.6 tp -144.53 61.48 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.519 ' OG ' ' CG2' ' A' ' 9' ' ' VAL . 1.4 m -75.13 164.0 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER -115.25 -148.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.702 HD13 ' H ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -86.83 -108.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HD2' ' C ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER 67.49 -59.99 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.732 ' HB3' ' HD2' ' A' ' 58' ' ' PRO . 6.7 mmt -45.58 173.61 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.732 ' HD2' ' HB3' ' A' ' 57' ' ' MET . 18.3 Cg_endo -75.04 -89.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.797 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 20.34 55.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 58' ' ' PRO . 7.0 ttp 68.17 -63.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.555 ' OD2' HD21 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -111.04 -20.67 12.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 1.015 ' C ' HD13 ' A' ' 63' ' ' LEU . . . 113.16 53.66 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.015 HD13 ' C ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -131.6 10.29 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' C ' ' N ' ' A' ' 66' ' ' LEU . . . -81.74 -50.08 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -42.95 -24.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 65' ' ' LEU . 2.7 mp -35.26 -40.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -36.92 -57.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -53.2 -46.86 69.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.157 HG23 ' CE1' ' A' ' 73' ' ' HIS . 42.4 mm -50.76 -67.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' O ' ' CD ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -57.47 -41.36 80.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.23 -23.71 66.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.805 ' HB3' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -96.41 -47.09 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 1.157 ' CE1' HG23 ' A' ' 69' ' ' ILE . 2.4 p-80 -131.88 68.89 80.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' O ' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 65.47 6.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.1 ttm 178.56 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 2.0 mp -53.25 133.01 51.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 50' ' ' VAL . 18.4 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.626 ' O ' ' CD2' ' A' ' 99' ' ' PHE . 39.0 t -64.03 148.74 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.756 ' CD1' HD21 ' A' ' 114' ' ' LEU . 1.8 mt -117.48 -53.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.506 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 72.62 160.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.501 ' HE1' ' O ' ' A' ' 52' ' ' LEU . 5.0 mtm -107.1 152.05 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 101' ' ' TYR . 43.4 p -144.09 160.35 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 104' ' ' LYS . . . -104.93 40.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 4.1 m80 74.33 -57.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 4.61 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -118.55 19.86 13.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 91' ' ' VAL . 5.0 tp -108.1 -25.75 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -12.42 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.859 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -104.18 -11.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.826 ' HB1' ' CD2' ' A' ' 101' ' ' TYR . . . -106.76 -27.01 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 1.044 HG23 HD11 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -90.18 -31.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 2.0 t -124.31 66.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . 177.69 55.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -159.39 141.99 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.08 -79.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.56 66.88 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.08 125.19 11.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.1 35.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.626 ' CD2' ' O ' ' A' ' 78' ' ' VAL . 3.3 m-85 -109.9 -170.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' A' ' 101' ' ' TYR . 5.6 m-20 -156.36 24.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.868 ' HB2' HD13 ' A' ' 87' ' ' LEU . 13.1 m-85 -17.2 90.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.626 HD12 HG21 ' A' ' 79' ' ' ILE . 5.3 mp -40.68 136.75 1.46 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 59.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.557 ' HA ' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -43.55 146.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.97 146.82 87.72 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.015 -0.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.65 ' CE1' ' HB2' ' A' ' 111' ' ' ALA . 16.4 p90 -141.09 -174.13 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -83.39 100.16 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -40.3 -47.75 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.83 -41.79 62.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -64.66 -31.58 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.65 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . . . -78.43 -37.1 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 108' ' ' ILE . 21.0 t -70.33 -45.49 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.44 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.756 HD21 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -63.92 -57.77 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.781 HG13 HD12 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -47.48 -50.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 115' ' ' VAL . 4.9 mm-40 -53.06 -18.86 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.5 ptt180 -104.35 -16.88 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HA ' ' ND1' ' A' ' 121' ' ' HIS . . . -93.5 -34.48 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.781 HD12 HG13 ' A' ' 115' ' ' VAL . 66.1 mt -70.13 -17.95 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.4 m -96.25 -47.72 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.466 ' ND1' ' HA ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -62.81 -14.79 49.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -57.79 -28.21 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 5.0 tt0 -79.56 62.99 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 mtt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.509 0.195 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 62.2 119.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 178.31 55.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' CA ' HD13 ' A' ' 119' ' ' ILE . . . 111.76 139.23 7.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 HG21 ' HB3' ' A' ' 48' ' ' PRO . 22.1 mt -125.55 146.66 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.741 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.614 HG22 HG12 ' A' ' 50' ' ' VAL . 1.4 t -147.43 117.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.796 ' HE3' HG22 ' A' ' 39' ' ' VAL . 27.1 m0 -93.33 115.28 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' PHE . 57.4 t -86.9 140.0 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' CG2' ' OG ' ' A' ' 53' ' ' SER . 17.0 t -135.96 77.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.506 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 29.2 t0 -125.88 147.41 49.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' H ' ' NE ' ' A' ' 56' ' ' ARG . 2.0 m-20 -94.31 23.71 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -124.71 173.83 8.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.95 48.81 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.766 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.3 t -132.96 -43.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.707 HG22 HD12 ' A' ' 19' ' ' LEU . 1.3 mm -82.99 -38.06 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB2' HG22 ' A' ' 32' ' ' THR . 13.3 ptt180 -55.44 -35.87 65.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' C ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -79.14 -51.77 9.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 107.985 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 14' ' ' SER . 70.4 t -53.37 -54.64 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 23' ' ' LEU . 11.8 mt -55.3 -54.57 41.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 8.6 tt0 -57.29 -41.05 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TRP . 1.5 ttt180 -66.47 -53.55 33.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.627 ' CB ' ' CG2' ' A' ' 108' ' ' ILE . . . -61.72 -47.84 83.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD23 HD22 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -60.25 -39.75 87.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 20' ' ' GLU . . . -86.06 -1.26 57.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -107.21 -25.47 6.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . -89.14 -7.53 55.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.04 35.29 6.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.549 1.156 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.968 HD22 HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -127.68 164.73 21.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 28' ' ' LEU . 59.3 m -94.29 155.15 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 12.0 t -152.41 151.48 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.598 ' HB ' ' CD1' ' A' ' 7' ' ' TRP . 5.6 m -143.88 104.97 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 16' ' ' ARG . 3.3 p -66.67 126.45 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CG ' HG23 ' A' ' 39' ' ' VAL . 33.0 m-85 -140.91 74.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' ASP . 1.6 pp20? -74.74 46.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 24.9 m-80 -164.02 90.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -35.56 -32.12 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -60.02 -58.12 9.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -49.65 -52.4 31.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.796 HG22 ' HE3' ' A' ' 7' ' ' TRP . 1.2 t -65.2 -11.36 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -94.29 -41.49 9.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -85.43 -2.56 58.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.557 ' HB1' ' CH2' ' A' ' 7' ' ' TRP . . . -106.59 -32.67 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD22 ' HB3' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -99.04 5.98 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -90.94 -10.36 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.6 -17.93 12.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.39 -166.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 13.7 t -154.39 136.86 9.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.03 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.499 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -86.82 -14.63 41.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 77' ' ' PRO . 1.2 t 176.95 169.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD22 ' CE1' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -132.85 158.11 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.501 ' O ' ' HE1' ' A' ' 81' ' ' MET . 12.6 tp -144.53 61.48 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.519 ' OG ' ' CG2' ' A' ' 9' ' ' VAL . 1.4 m -75.13 164.0 26.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CG ' ' CE ' ' A' ' 81' ' ' MET . 0.5 OUTLIER -115.25 -148.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.702 HD13 ' H ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -86.83 -108.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HD2' ' C ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER 67.49 -59.99 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.732 ' HB3' ' HD2' ' A' ' 58' ' ' PRO . 6.7 mmt -45.58 173.61 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.732 ' HD2' ' HB3' ' A' ' 57' ' ' MET . 18.3 Cg_endo -75.04 -89.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.797 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 20.34 55.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 58' ' ' PRO . 7.0 ttp 68.17 -63.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.555 ' OD2' HD21 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -111.04 -20.67 12.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 1.015 ' C ' HD13 ' A' ' 63' ' ' LEU . . . 113.16 53.66 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.015 HD13 ' C ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -131.6 10.29 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' C ' ' N ' ' A' ' 66' ' ' LEU . . . -81.74 -50.08 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -42.95 -24.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 65' ' ' LEU . 2.7 mp -35.26 -40.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -36.92 -57.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 72' ' ' ARG . 0.4 OUTLIER -53.2 -46.86 69.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.963 HG23 ' NE2' ' A' ' 73' ' ' HIS . 42.4 mm -50.76 -67.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' O ' ' CD ' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -57.47 -41.36 80.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.504 ' NE2' ' NE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -62.23 -23.71 66.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.805 ' HB3' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -96.41 -47.09 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.963 ' NE2' HG23 ' A' ' 69' ' ' ILE . 1.3 p80 -131.88 68.89 80.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' O ' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 65.47 6.03 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.1 ttm 178.56 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 2.0 mp -53.25 133.01 51.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 50' ' ' VAL . 18.4 Cg_endo -74.97 56.22 4.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.626 ' O ' ' CD2' ' A' ' 99' ' ' PHE . 39.0 t -64.03 148.74 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.756 ' CD1' HD21 ' A' ' 114' ' ' LEU . 1.8 mt -117.48 -53.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.506 HD11 ' CB ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 72.62 160.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.501 ' HE1' ' O ' ' A' ' 52' ' ' LEU . 5.0 mtm -107.1 152.05 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 101' ' ' TYR . 43.4 p -144.09 160.35 41.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 104' ' ' LYS . . . -104.93 40.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 8.3 m-70 74.33 -57.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 4.61 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -118.55 19.86 13.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.044 HD11 HG23 ' A' ' 91' ' ' VAL . 5.0 tp -108.1 -25.75 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -12.42 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.859 ' O ' ' HB3' ' A' ' 93' ' ' ALA . . . -104.18 -11.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.826 ' HB1' ' CD2' ' A' ' 101' ' ' TYR . . . -106.76 -27.01 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 1.044 HG23 HD11 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -90.18 -31.45 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 2.0 t -124.31 66.39 1.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 89' ' ' ALA . . . 177.69 55.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -159.39 141.99 13.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.08 -79.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.56 66.88 9.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.08 125.19 11.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.1 35.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.626 ' CD2' ' O ' ' A' ' 78' ' ' VAL . 3.3 m-85 -109.9 -170.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' A' ' 101' ' ' TYR . 5.6 m-20 -156.36 24.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.868 ' HB2' HD13 ' A' ' 87' ' ' LEU . 13.1 m-85 -17.2 90.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.626 HD12 HG21 ' A' ' 79' ' ' ILE . 5.3 mp -40.68 136.75 1.46 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 59.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.557 ' HA ' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -43.55 146.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 104' ' ' LYS . 18.3 Cg_endo -74.97 146.82 87.72 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.015 -0.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.65 ' CE1' ' HB2' ' A' ' 111' ' ' ALA . 16.4 p90 -141.09 -174.13 3.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -83.39 100.16 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -40.3 -47.75 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.83 -41.79 62.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -64.66 -31.58 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.65 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . . . -78.43 -37.1 44.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 108' ' ' ILE . 21.0 t -70.33 -45.49 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.44 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.756 HD21 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -63.92 -57.77 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.781 HG13 HD12 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -47.48 -50.54 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 115' ' ' VAL . 4.9 mm-40 -53.06 -18.86 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.5 ptt180 -104.35 -16.88 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HA ' ' ND1' ' A' ' 121' ' ' HIS . . . -93.5 -34.48 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.781 HD12 HG13 ' A' ' 115' ' ' VAL . 66.1 mt -70.13 -17.95 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.4 m -96.25 -47.72 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.466 ' ND1' ' HA ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -62.81 -14.79 49.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -57.79 -28.21 63.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 5.0 tt0 -79.56 62.99 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 stop_ save_